data_5u9b_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 5u9b _Structure_validation_residue.Date_analyzed 2017-07-28 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 ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.267 0.556 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.6 p -70.35 -16.71 63.01 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.298 -1.501 . . . . 0.0 113.755 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -56.93 -30.0 63.6 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.904 1.282 . . . . 0.0 113.77 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 p-90 -82.04 -12.14 58.44 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 mt -107.36 -15.36 14.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.566 1.546 . . . . 0.0 113.367 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.77 150.4 30.79 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.919 1.236 . . . . 0.0 114.045 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -130.99 147.53 52.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.116 1.766 . . . . 0.0 109.455 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.39 137.62 35.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.584 1.154 . . . . 0.0 113.682 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.52 139.24 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.342 1.457 . . . . 0.0 109.242 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.79 132.61 52.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.938 0.875 . . . . 0.0 112.27 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.463 ' NH2' HE22 ' A' ' 23' ' ' GLN . 5.3 mmp_? -63.0 -37.78 88.56 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.551 1.14 . . . . 0.0 112.012 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.99 -28.68 39.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 112.51 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -63.45 -42.2 98.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.811 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.463 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.7 mt-30 -66.0 -16.24 63.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.108 1.363 . . . . 0.0 113.192 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -105.6 -5.83 19.79 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.524 1.93 . . . . 0.0 112.927 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.78 28.81 70.18 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.707 1.146 . . . . 0.0 113.52 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.4 p -118.14 -8.95 10.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.68 150.14 46.27 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 119.337 0.972 . . . . 0.0 111.49 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -140.03 59.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.779 1.232 . . . . 0.0 112.656 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.32 148.99 19.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 126.701 2.001 . . . . 0.0 110.727 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.22 159.71 49.03 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.154 1.903 . . . . 0.0 109.644 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -51.84 -31.25 26.9 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.079 0.951 . . . . 0.0 112.716 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -68.69 -22.49 64.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.386 2.275 . . . . 0.0 114.838 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -119.97 -19.06 8.0 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.64 160.24 32.55 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.03 0.919 . . . . 0.0 112.077 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.98 -20.44 61.02 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.986 1.714 . . . . 0.0 113.015 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -132.39 -179.95 5.75 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.467 1.907 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 145.6 25.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -120.14 74.97 22.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.896 2.078 . . . . 0.0 110.227 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.18 165.1 31.45 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.21 3.273 . . . . 0.0 114.224 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -100.09 172.71 7.03 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.592 1.557 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.53 -19.15 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.198 0.999 . . . . 0.0 112.991 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 m -89.22 -15.98 32.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.509 1.523 . . . . 0.0 113.539 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.1 m -73.95 149.99 41.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.996 0.816 . . . . 0.0 111.608 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -79.19 51.38 1.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.48 1.112 . . . . 0.0 112.495 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.65 134.25 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.318 1.447 . . . . 0.0 111.232 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -152.84 134.66 14.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.567 1.147 . . . . 0.0 111.131 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 43.01 38.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.296 1.839 . . . . 0.0 115.404 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.34 76.62 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.046 -1.034 . . . . 0.0 115.002 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -134.86 160.94 36.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.393 2.277 . . . . 0.0 110.626 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.53 140.56 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.14 128.01 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.07 23.58 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.378 0.671 . . . . 0.0 112.132 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.34 110.6 3.62 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.539 1.536 . . . . 0.0 111.487 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -52.51 -48.04 66.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.163 1.785 . . . . 0.0 111.173 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.78 -40.48 95.34 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.946 -0.472 . . . . 0.0 111.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.0 t -68.18 -40.78 82.17 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.141 -0.975 . . . . 0.0 111.721 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.05 -32.94 70.21 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 112.071 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -83.62 0.21 47.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.17 1.388 . . . . 0.0 112.78 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 8.53 66.92 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.476 1.989 . . . . 0.0 117.138 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -154.97 90.66 1.3 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.449 1.625 . . . . 0.0 112.224 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 t -55.23 144.08 25.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.161 0.984 . . . . 0.0 110.521 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.48 1.046 0 C-N-CA 124.733 1.213 . . . . 0.0 113.531 -177.627 . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.55 0.952 0 CA-C-O 122.717 1.246 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -77.37 -7.67 56.45 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -89.97 169.51 11.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.021 1.328 . . . . 0.0 112.628 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.7 135.15 34.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.862 1.265 . . . . 0.0 111.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.7 104.7 40.4 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -88.42 162.08 6.75 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 123.352 2.701 . . . . 0.0 112.132 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.85 159.57 50.2 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.346 2.697 . . . . 0.0 111.912 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.91 -41.5 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.891 3.727 . . . . 0.0 116.708 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -64.17 -43.1 96.18 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.292 -0.88 . . . . 0.0 112.063 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.67 -33.54 66.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.496 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.45 -44.07 89.07 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.829 1.195 . . . . 0.0 109.75 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.1 m -63.71 -45.14 91.32 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.735 0.814 . . . . 0.0 111.382 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.6 -39.14 90.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.158 0.89 . . . . 0.0 111.284 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.92 -46.14 79.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.724 0.809 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.59 -35.91 81.05 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.056 -1.028 . . . . 0.0 111.948 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.66 -42.33 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.653 1.115 . . . . 0.0 109.957 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.63 -40.39 96.85 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.648 -0.658 . . . . 0.0 111.287 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.175 0 C-N-CA 123.797 0.713 . . . . 0.0 111.649 176.153 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 122.005 0.907 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -61.98 -17.27 56.46 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -59.18 -24.37 63.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -83.33 -20.53 34.17 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.69 -16.16 21.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.806 1.642 . . . . 0.0 113.102 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -79.71 149.01 31.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.71 1.596 . . . . 0.0 114.252 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -135.98 137.65 41.48 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.75 2.02 . . . . 0.0 108.978 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -75.66 144.79 41.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 113.703 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -88.01 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.161 2.184 . . . . 0.0 110.803 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.79 134.53 55.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.492 1.117 . . . . 0.0 113.062 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.49 -37.44 87.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 112.348 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.58 -31.52 41.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.116 0.966 . . . . 0.0 111.82 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.63 -42.26 99.49 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -63.55 -16.37 60.61 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.039 1.335 . . . . 0.0 113.404 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -109.21 -0.0 19.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.033 2.133 . . . . 0.0 112.829 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 25.1 75.58 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.01 1.29 . . . . 0.0 114.549 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 p -110.16 -15.29 14.04 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.96 140.1 47.17 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.425 1.012 . . . . 0.0 109.794 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -140.04 59.88 1.56 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.15 0.98 . . . . 0.0 113.589 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -158.47 155.69 25.95 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.54 159.41 52.91 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.134 1.889 . . . . 0.0 111.594 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.66 -38.31 54.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.084 1.354 . . . . 0.0 112.077 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m -61.56 -28.01 69.03 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 113.737 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -97.31 -30.44 12.96 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.647 1.179 . . . . 0.0 112.287 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -74.21 170.02 16.4 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.057 0.932 . . . . 0.0 112.946 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -90.86 -13.39 33.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.803 1.641 . . . . 0.0 113.111 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -136.15 -179.87 5.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.52 1.928 . . . . 0.0 112.175 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.77 147.46 23.8 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -120.12 68.89 13.66 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 127.56 2.344 . . . . 0.0 111.614 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.75 165.13 33.49 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.378 3.385 . . . . 0.0 114.458 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -95.33 169.47 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.836 1.255 . . . . 0.0 111.38 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -19.81 57.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.306 1.043 . . . . 0.0 113.772 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -91.65 -13.53 31.67 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.632 1.573 . . . . 0.0 113.791 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -72.47 158.93 34.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.005 0.82 . . . . 0.0 112.513 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.74 39.95 0.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.165 2.186 . . . . 0.0 113.137 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.7 130.14 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.321 1.448 . . . . 0.0 111.748 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -153.97 139.72 18.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.827 1.251 . . . . 0.0 111.177 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.9 t30 43.8 31.95 0.54 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.599 1.959 . . . . 0.0 115.394 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 10.48 69.37 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 120.782 -1.199 . . . . 0.0 115.951 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 167.2 22.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.999 1.9 . . . . 0.0 112.323 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.77 140.58 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.444 1.097 . . . . 0.0 108.659 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mt -76.57 128.23 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 149.35 32.97 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.033 0.933 . . . . 0.0 113.02 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.95 112.48 7.15 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.515 1.526 . . . . 0.0 111.39 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.08 -46.27 85.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.961 1.305 . . . . 0.0 111.477 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -64.09 -39.26 93.66 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.654 -0.654 . . . . 0.0 112.018 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 t -67.22 -39.73 86.29 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.29 -0.881 . . . . 0.0 111.535 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -59.93 -33.03 71.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.123 0.969 . . . . 0.0 111.99 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.62 0.02 40.37 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.131 1.372 . . . . 0.0 112.84 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 5.96 69.89 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.247 1.88 . . . . 0.0 117.034 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.71 90.51 1.48 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.345 1.573 . . . . 0.0 110.938 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.89 129.7 43.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.052 0.941 . . . . 0.0 110.468 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 124.737 1.215 . . . . 0.0 113.783 -176.902 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.546 0.825 0 CA-C-O 121.919 0.866 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -130.84 2.15 4.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 127.547 2.339 . . . . 0.0 112.615 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.02 167.56 12.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.415 1.886 . . . . 0.0 111.764 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.4 tp -84.62 135.29 34.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.182 0.993 . . . . 0.0 111.791 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -98.18 104.73 24.32 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.63 150.79 13.04 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.913 2.409 . . . . 0.0 113.547 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.1 158.94 48.57 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.818 3.012 . . . . 0.0 110.95 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.29 -40.36 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 124.307 3.338 . . . . 0.0 116.24 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.75 -28.37 67.57 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.0 -28.82 23.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.135 0.88 . . . . 0.0 111.189 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -55.37 -35.14 64.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.641 0.655 . . . . 0.0 111.058 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.7 m -58.65 -46.21 87.66 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.302 0.641 . . . . 0.0 112.242 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.39 -36.51 79.24 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.313 -0.867 . . . . 0.0 110.507 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -44.04 97.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.749 . . . . 0.0 110.541 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.96 -44.14 93.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.195 -0.941 . . . . 0.0 111.774 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.09 -48.81 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.761 0.824 . . . . 0.0 110.472 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.1 -46.75 88.55 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 110.823 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 C-N-CA 124.632 1.111 . . . . 0.0 112.408 176.723 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 CA--C 1.545 0.762 0 CA-C-O 121.548 0.69 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.2 p -57.11 -18.2 13.87 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.7 -29.45 66.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.515 1.126 . . . . 0.0 113.511 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -83.92 -16.23 45.02 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.442 0.564 . . . . 0.0 112.288 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.48 -17.22 21.65 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.584 1.554 . . . . 0.0 113.057 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -79.78 147.66 31.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 114.038 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.9 mt -130.03 143.38 50.76 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.898 2.079 . . . . 0.0 109.069 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.57 143.87 51.42 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.92 137.83 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.474 1.11 . . . . 0.0 109.27 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.34 131.48 50.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.557 1.143 . . . . 0.0 112.3 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -67.68 -39.45 84.46 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.077 0.951 . . . . 0.0 111.645 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.26 -28.67 64.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.185 0.594 . . . . 0.0 111.654 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.34 -42.54 83.4 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.815 -1.178 . . . . 0.0 110.348 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.29 -38.68 90.98 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.223 1.009 . . . . 0.0 111.233 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.33 -20.37 62.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.516 1.527 . . . . 0.0 112.864 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.06 36.91 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.206 1.384 . . . . 0.0 113.329 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -122.32 -14.6 7.85 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.589 1.556 . . . . 0.0 114.802 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.55 141.44 53.82 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.602 1.092 . . . . 0.0 110.933 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -139.94 59.77 1.57 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.573 1.149 . . . . 0.0 112.539 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -150.25 151.5 31.65 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 127.091 2.156 . . . . 0.0 110.362 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.33 158.9 50.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 122.181 1.921 . . . . 0.0 110.577 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -51.63 -33.2 32.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.396 1.078 . . . . 0.0 112.185 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 -23.43 67.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.827 2.451 . . . . 0.0 114.997 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -116.53 -23.76 8.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.59 161.17 31.12 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 122.099 0.952 . . . . 0.0 112.497 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.35 -20.5 58.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.949 1.7 . . . . 0.0 113.044 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -133.49 -179.78 5.73 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.329 1.852 . . . . 0.0 112.178 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 145.92 24.81 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -119.98 76.42 22.23 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.154 2.182 . . . . 0.0 110.875 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -69.93 165.08 32.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.53 2.82 . . . . 0.0 114.61 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.65 169.42 8.48 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.661 1.984 . . . . 0.0 110.274 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -55.81 -31.66 62.87 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -84.89 -14.17 48.64 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 114.337 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.1 m -69.36 148.37 49.75 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.184 0.902 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -80.45 61.53 4.23 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.958 0.885 . . . . 0.0 112.076 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -66.46 135.02 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 108.511 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -146.96 119.82 8.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.3 1.44 . . . . 0.0 111.249 -174.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.0 t30 43.35 43.43 4.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.013 1.725 . . . . 0.0 114.366 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.83 18.91 78.39 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 121.197 -0.939 . . . . 0.0 115.087 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -128.88 170.03 13.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.396 2.279 . . . . 0.0 109.381 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.66 135.06 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.37 128.1 35.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.68 151.99 24.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.637 0.775 . . . . 0.0 112.347 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.98 111.35 9.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.109 1.364 . . . . 0.0 110.217 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.03 -46.43 75.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.234 1.014 . . . . 0.0 110.919 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.41 -39.6 91.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.958 0.503 . . . . 0.0 111.957 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 t -70.33 -37.65 74.72 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.921 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.69 -28.46 68.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.367 1.067 . . . . 0.0 111.923 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.05 0.52 57.52 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.421 1.488 . . . . 0.0 112.762 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 9.55 65.46 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 126.283 1.897 . . . . 0.0 117.737 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -154.26 89.54 1.29 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.917 1.858 . . . . 0.0 112.479 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -51.25 133.99 28.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.009 1.323 . . . . 0.0 110.582 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -172.49 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.3 t . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 122.578 1.18 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -132.86 8.73 4.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.02 2.528 . . . . 0.0 114.009 -171.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -101.03 169.05 9.21 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.316 1.846 . . . . 0.0 111.359 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.58 135.17 34.31 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.115 -0.99 . . . . 0.0 111.334 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -101.68 104.63 36.07 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.89 152.05 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.481 2.12 . . . . 0.0 113.15 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.75 162.29 41.88 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.262 2.642 . . . . 0.0 110.806 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.85 -40.25 8.1 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.638 3.559 . . . . 0.0 116.781 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.17 -52.23 43.95 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.421 1.009 . . . . 0.0 112.73 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.19 -35.99 81.89 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.439 -0.788 . . . . 0.0 111.607 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -58.41 -46.54 86.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.45 1.5 . . . . 0.0 110.135 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -64.41 -42.66 95.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.317 0.647 . . . . 0.0 111.269 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.12 -38.45 88.98 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.329 0.968 . . . . 0.0 111.192 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.84 -49.67 73.98 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.848 0.859 . . . . 0.0 110.408 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.13 -39.19 89.08 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.608 -0.682 . . . . 0.0 112.094 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.48 -46.35 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.717 0.807 . . . . 0.0 110.196 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.19 -41.61 99.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.231 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 C-N-CA 124.109 0.861 . . . . 0.0 112.098 176.572 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t0 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -69.92 -14.53 62.76 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.936 -1.728 . . . . 0.0 114.533 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -59.46 -28.91 67.41 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.221 1.008 . . . . 0.0 113.403 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -86.44 -16.55 36.83 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.165 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.91 -14.42 23.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.79 1.636 . . . . 0.0 113.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.85 147.14 31.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.418 1.463 . . . . 0.0 114.071 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.3 mt -130.51 149.24 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.032 2.133 . . . . 0.0 110.099 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.95 139.18 31.43 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.785 1.234 . . . . 0.0 113.943 -175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.13 139.89 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 110.642 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.54 125.43 23.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.707 0.803 . . . . 0.0 111.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.0 -29.74 70.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.624 0.77 . . . . 0.0 112.868 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.3 -37.25 60.93 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.449 0.568 . . . . 0.0 110.136 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.83 -41.07 96.03 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.555 -1.341 . . . . 0.0 110.612 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.06 -18.99 50.7 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.967 1.707 . . . . 0.0 112.732 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -111.29 0.07 16.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.707 2.003 . . . . 0.0 113.278 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.73 30.08 68.8 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.013 1.292 . . . . 0.0 114.752 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -119.88 -7.85 9.92 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -176.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.91 146.54 49.49 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.599 1.09 . . . . 0.0 111.36 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -139.93 59.79 1.57 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.948 1.299 . . . . 0.0 111.916 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -150.45 150.44 28.88 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.93 2.092 . . . . 0.0 110.093 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.13 151.22 49.23 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 122.175 1.917 . . . . 0.0 110.36 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -51.69 -34.0 36.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.455 1.102 . . . . 0.0 112.709 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -64.61 -23.25 67.2 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.423 1.889 . . . . 0.0 114.42 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -120.0 -20.97 7.28 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.68 146.6 51.47 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 118.814 0.734 . . . . 0.0 110.345 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -66.39 -10.16 40.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -136.58 -179.95 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.507 1.923 . . . . 0.0 111.549 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 146.87 24.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.977 0.911 . . . . 0.0 113.195 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -120.11 74.43 21.03 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.107 2.163 . . . . 0.0 109.823 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.4 165.11 32.76 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.968 3.112 . . . . 0.0 114.724 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.9 m -105.45 168.44 9.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.928 1.691 . . . . 0.0 110.582 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -55.58 -25.44 38.28 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -77.17 -14.82 59.72 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.357 1.463 . . . . 0.0 114.09 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -81.13 158.75 24.88 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.206 1.002 . . . . 0.0 112.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -80.54 51.08 1.4 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.501 1.121 . . . . 0.0 112.411 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.13 118.91 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.062 1.345 . . . . 0.0 111.222 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.39 138.96 17.77 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.503 1.121 . . . . 0.0 110.878 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 44.91 34.5 1.24 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.022 1.729 . . . . 0.0 114.97 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 24.42 72.0 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 120.868 -1.145 . . . . 0.0 114.617 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -136.0 160.05 39.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.373 2.269 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.76 140.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.599 1.16 . . . . 0.0 109.006 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -77.5 126.66 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.0 152.11 24.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.451 0.7 . . . . 0.0 112.241 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.97 110.21 7.1 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.126 1.37 . . . . 0.0 110.43 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.47 -40.24 82.17 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.196 -0.94 . . . . 0.0 111.666 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -62.89 -39.74 95.41 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.711 -0.618 . . . . 0.0 111.31 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -68.81 -40.22 79.66 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.055 -1.028 . . . . 0.0 111.681 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.71 -33.01 72.24 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.168 -0.957 . . . . 0.0 111.188 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -78.04 -6.95 56.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.091 1.757 . . . . 0.0 112.466 174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 10.86 64.09 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 127.026 2.251 . . . . 0.0 117.006 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -156.34 93.97 1.45 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.133 1.466 . . . . 0.0 111.447 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -56.28 139.48 48.02 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.723 1.209 . . . . 0.0 110.348 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -174.972 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 CA--C 1.546 0.818 0 CA-C-O 121.236 0.541 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 19.58 3.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.58 170.09 8.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.331 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -84.67 135.16 34.28 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.931 -1.106 . . . . 0.0 111.964 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -101.33 104.71 35.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -82.25 153.01 16.18 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.617 2.212 . . . . 0.0 114.566 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.74 161.1 39.99 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.0 3.134 . . . . 0.0 110.177 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -44.39 -43.14 13.8 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.13 3.22 . . . . 0.0 116.733 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -65.16 -43.83 90.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.259 0.936 . . . . 0.0 113.121 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -76.66 -32.33 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.596 0.758 . . . . 0.0 110.989 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.29 -37.49 85.72 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.262 1.425 . . . . 0.0 110.406 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -64.88 -43.4 93.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.298 0.639 . . . . 0.0 110.512 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -61.97 -36.08 80.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.822 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.13 -50.38 66.26 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.497 0.719 . . . . 0.0 111.155 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.79 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.888 1.222 . . . . 0.0 112.648 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.01 -44.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.499 -0.751 . . . . 0.0 109.485 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -39.31 92.63 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.533 -0.73 . . . . 0.0 110.594 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.638 0 C-N-CA 124.861 1.219 . . . . 0.0 111.684 178.522 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.198 0.523 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -60.18 -17.18 39.17 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -50.46 -32.85 19.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.053 1.741 . . . . 0.0 114.879 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -86.42 -25.08 25.44 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.749 0.704 . . . . 0.0 112.325 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -82.94 -17.75 42.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.285 1.434 . . . . 0.0 112.653 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.84 144.29 33.61 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -133.47 136.35 45.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.088 2.155 . . . . 0.0 109.398 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.66 143.71 57.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.74 140.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.216 1.806 . . . . 0.0 109.78 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.29 126.52 27.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.231 1.013 . . . . 0.0 112.092 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.41 -41.09 88.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.29 1.036 . . . . 0.0 111.544 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.54 -28.94 63.15 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.342 0.657 . . . . 0.0 111.582 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.84 -43.46 71.89 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.935 -1.103 . . . . 0.0 110.012 174.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.4 -38.99 89.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.219 1.008 . . . . 0.0 111.02 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -72.51 -18.02 61.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.46 1.504 . . . . 0.0 113.033 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.73 38.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.196 1.379 . . . . 0.0 113.976 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -123.4 -16.88 6.71 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.41 143.36 57.96 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.73 1.15 . . . . 0.0 111.559 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 p -140.12 59.7 1.56 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.728 1.211 . . . . 0.0 112.82 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -148.49 151.6 36.63 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.536 1.935 . . . . 0.0 110.379 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.22 155.97 51.38 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.186 1.924 . . . . 0.0 110.759 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.63 -32.31 41.13 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.347 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -23.75 67.34 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.419 2.288 . . . . 0.0 114.866 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.15 -19.61 7.69 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.04 162.91 28.61 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 122.063 0.935 . . . . 0.0 112.359 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.82 -14.95 59.86 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.913 1.685 . . . . 0.0 114.483 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -142.19 -179.82 6.47 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.189 2.195 . . . . 0.0 111.449 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 148.62 23.14 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -120.07 79.16 25.68 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 127.062 2.145 . . . . 0.0 110.7 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -67.13 165.15 27.48 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 124.036 3.157 . . . . 0.0 114.926 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -105.48 172.11 6.97 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.87 1.668 . . . . 0.0 111.061 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.7 -24.64 64.13 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.166 0.986 . . . . 0.0 112.821 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -89.41 -12.4 40.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.606 1.562 . . . . 0.0 114.365 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -73.5 142.67 46.75 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.63 1.104 . . . . 0.0 112.242 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -80.53 59.63 3.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.19 0.996 . . . . 0.0 111.443 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.09 138.01 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.477 1.511 . . . . 0.0 109.941 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.31 139.7 19.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.736 1.214 . . . . 0.0 112.188 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.9 t30 42.12 37.38 0.85 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 126.132 1.773 . . . . 0.0 115.453 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.06 77.11 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.932 -1.105 . . . . 0.0 115.277 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.21 162.09 30.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.89 2.076 . . . . 0.0 111.065 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.59 137.59 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.61 130.02 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.51 149.9 29.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.956 0.903 . . . . 0.0 112.645 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.31 100.48 4.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.727 1.611 . . . . 0.0 109.358 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 87.0 t80 -52.49 -42.78 64.56 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.904 1.282 . . . . 0.0 112.786 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.18 -32.83 74.32 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.705 -0.622 . . . . 0.0 111.798 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 t -71.94 -35.04 69.49 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.257 -0.902 . . . . 0.0 111.431 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.32 -32.97 69.0 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.121 -0.987 . . . . 0.0 111.645 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HE2' ' CZ ' ' A' ' 54' ' ' PHE . 66.3 mttm -83.83 -0.36 50.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.718 1.607 . . . . 0.0 113.376 176.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.4 8.85 82.75 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.693 1.616 . . . . 0.0 116.038 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.84 89.08 1.51 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.23 1.515 . . . . 0.0 111.622 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.7 t -57.97 137.27 56.93 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 109.364 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 -175.468 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 123.522 1.63 . . . . 0.0 113.69 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -118.78 27.75 8.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.704 2.802 . . . . 0.0 112.607 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -129.61 168.75 15.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.342 1.857 . . . . 0.0 113.181 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.77 135.14 34.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.524 1.13 . . . . 0.0 111.824 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -97.98 104.78 23.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.99 149.46 17.65 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.292 1.995 . . . . 0.0 113.415 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.69 161.25 46.65 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.173 2.582 . . . . 0.0 110.514 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.92 -42.18 9.07 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.449 3.432 . . . . 0.0 117.025 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -66.02 -47.39 74.59 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.385 0.993 . . . . 0.0 113.039 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 mt -71.28 -34.48 70.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.529 -0.732 . . . . 0.0 111.34 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -60.54 -43.32 97.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 110.526 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -63.51 -43.05 98.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.474 0.709 . . . . 0.0 110.84 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -61.99 -37.22 84.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.898 0.772 . . . . 0.0 111.073 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -48.81 74.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 110.37 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.13 -39.26 81.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.538 -0.727 . . . . 0.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.08 -46.01 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.594 0.757 . . . . 0.0 110.141 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -39.81 93.99 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.659 -0.65 . . . . 0.0 111.157 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.788 0 C-N-CA 124.513 1.054 . . . . 0.0 110.985 178.184 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -63.26 -18.78 63.94 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.118 -1.613 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.79 -35.51 76.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.183 0.993 . . . . 0.0 113.076 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -76.81 -17.16 59.19 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.888 0.767 . . . . 0.0 112.072 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.7 -17.0 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.54 1.536 . . . . 0.0 113.493 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.75 144.74 33.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.774 1.624 . . . . 0.0 113.559 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.63 144.78 51.66 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.251 1.82 . . . . 0.0 109.31 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -82.7 142.88 31.32 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.37 140.06 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.914 1.686 . . . . 0.0 110.103 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.37 128.45 37.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.006 0.922 . . . . 0.0 112.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.65 -33.44 71.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.513 1.125 . . . . 0.0 112.828 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.92 -30.88 40.12 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.565 0.746 . . . . 0.0 111.377 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.83 -39.19 90.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.709 -1.244 . . . . 0.0 110.507 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.01 -16.27 50.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.605 1.162 . . . . 0.0 113.367 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -111.52 0.08 16.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.719 2.008 . . . . 0.0 112.653 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.97 77.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.957 1.265 . . . . 0.0 114.744 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.5 p -104.2 -23.66 13.23 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.714 1.257 . . . . 0.0 114.03 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.56 130.83 43.52 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.458 1.027 . . . . 0.0 109.545 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -137.28 59.78 1.67 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.034 0.934 . . . . 0.0 112.568 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -151.62 155.46 34.12 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.825 2.45 . . . . 0.0 109.46 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.25 153.27 71.51 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.179 1.919 . . . . 0.0 111.163 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.09 -28.7 54.47 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.032 0.933 . . . . 0.0 113.409 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -65.5 -31.87 73.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.69 1.196 . . . . 0.0 112.423 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.54 -37.56 16.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.683 1.193 . . . . 0.0 111.359 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.05 170.07 12.14 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.658 1.183 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -95.5 -5.57 42.56 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.657 1.583 . . . . 0.0 114.401 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.51 -179.96 6.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.702 2.001 . . . . 0.0 111.277 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 147.06 23.99 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.366 -0.834 . . . . 0.0 112.992 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.08 77.67 24.28 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.391 1.876 . . . . 0.0 110.025 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -67.09 165.14 27.46 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.151 3.234 . . . . 0.0 114.298 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -105.4 167.84 9.48 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.872 1.669 . . . . 0.0 110.776 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -55.7 -25.98 42.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -82.08 -21.65 36.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.27 1.428 . . . . 0.0 113.486 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.5 m -69.08 141.51 54.72 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.454 -0.779 . . . . 0.0 110.374 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -82.2 58.06 3.85 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.149 0.975 . . . . 0.0 111.966 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.84 134.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.503 1.921 . . . . 0.0 110.201 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -150.13 129.75 13.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.409 1.084 . . . . 0.0 112.051 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 44.21 38.0 2.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.106 1.763 . . . . 0.0 115.381 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.1 11.14 81.63 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -134.95 166.4 23.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.257 1.823 . . . . 0.0 110.998 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.65 139.44 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -74.89 126.0 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 152.1 26.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.565 0.746 . . . . 0.0 112.541 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.3 t -71.0 110.47 5.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.917 1.287 . . . . 0.0 110.934 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.43 -40.28 86.24 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.901 1.28 . . . . 0.0 111.608 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.31 -42.99 92.45 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 111.182 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -66.58 -37.89 85.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.282 -0.886 . . . . 0.0 111.942 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -33.03 72.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.56 1.144 . . . . 0.0 112.16 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.54 3.34 37.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.797 1.239 . . . . 0.0 112.756 174.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 7.67 67.93 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.314 1.911 . . . . 0.0 117.408 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -153.16 89.26 1.35 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.836 1.818 . . . . 0.0 112.795 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.72 130.26 45.61 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 109.594 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 p . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.916 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 121.523 0.678 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.11 9.83 3.83 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.149 2.18 . . . . 0.0 113.877 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -89.93 170.21 10.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.549 1.939 . . . . 0.0 111.83 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.63 135.12 34.31 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.065 -1.022 . . . . 0.0 111.05 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -100.36 104.78 32.33 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -77.5 162.42 30.55 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.542 2.161 . . . . 0.0 113.558 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.54 158.24 56.51 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.953 2.435 . . . . 0.0 109.781 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.39 -41.93 17.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.148 3.232 . . . . 0.0 116.23 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -66.37 -42.22 88.29 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.403 -0.811 . . . . 0.0 113.001 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 45.5 mt -72.26 -35.81 68.87 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.917 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -58.62 -44.0 89.85 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.636 1.107 . . . . 0.0 110.143 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 m -62.99 -44.87 94.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.051 0.54 . . . . 0.0 111.06 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -62.08 -41.89 98.64 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.198 0.908 . . . . 0.0 111.005 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -48.21 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.672 1.189 . . . . 0.0 110.507 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.7 -33.22 75.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.465 -0.772 . . . . 0.0 112.77 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.26 -46.4 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.417 1.008 . . . . 0.0 109.621 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -59.42 -43.36 93.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.851 0.86 . . . . 0.0 110.288 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 C-N-CA 124.698 1.142 . . . . 0.0 112.008 176.947 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.4 t0 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.151 0.501 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -56.04 -13.77 2.16 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.93 -30.8 66.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.658 1.183 . . . . 0.0 112.961 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -82.64 -26.51 32.12 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.646 . . . . 0.0 112.028 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -83.69 -14.84 50.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.949 1.3 . . . . 0.0 112.589 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 149.02 31.12 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.471 1.487 . . . . 0.0 114.11 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -132.52 139.77 48.04 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.548 2.339 . . . . 0.0 108.561 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -71.51 148.04 47.14 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.956 0.884 . . . . 0.0 113.36 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -98.45 140.0 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.255 1.822 . . . . 0.0 110.178 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.32 133.17 55.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.662 0.785 . . . . 0.0 112.105 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -66.96 -42.62 84.87 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.322 -0.861 . . . . 0.0 111.897 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.19 -30.36 70.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.471 0.708 . . . . 0.0 111.758 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.64 -40.39 92.45 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.25 -31.98 72.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.124 0.97 . . . . 0.0 111.711 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -79.67 -14.64 58.64 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 0.0 112.753 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.18 43.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.157 1.36 . . . . 0.0 113.618 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -122.15 -13.9 8.06 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.37 147.04 53.89 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 119.865 1.211 . . . . 0.0 111.422 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -140.09 59.8 1.56 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.467 1.107 . . . . 0.0 113.87 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -153.11 151.64 26.44 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 126.492 1.917 . . . . 0.0 111.086 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.75 157.07 52.55 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.895 1.73 . . . . 0.0 108.601 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.04 -28.13 36.56 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.074 -1.017 . . . . 0.0 113.442 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -64.66 -26.95 68.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.948 1.699 . . . . 0.0 113.389 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -113.68 -16.41 12.32 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.563 1.145 . . . . 0.0 113.933 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.5 t -79.79 170.09 17.01 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -82.12 -15.71 52.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.261 1.424 . . . . 0.0 113.729 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -139.61 -179.72 6.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.637 1.975 . . . . 0.0 112.075 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.6 148.38 23.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.438 -0.789 . . . . 0.0 112.733 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -120.28 81.21 29.46 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.584 1.954 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.26 165.03 30.09 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 124.238 3.292 . . . . 0.0 114.991 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.3 m -105.38 166.86 10.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.949 1.7 . . . . 0.0 110.02 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -55.61 -30.49 60.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.448 1.099 . . . . 0.0 113.672 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.1 m -78.41 -13.98 59.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.722 1.609 . . . . 0.0 114.568 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -77.78 149.02 34.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.565 1.075 . . . . 0.0 112.266 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -79.05 61.75 3.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.103 0.961 . . . . 0.0 111.889 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.09 130.16 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.65 1.18 . . . . 0.0 109.438 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -150.79 136.19 17.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.327 1.451 . . . . 0.0 111.38 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.2 33.16 3.48 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.798 1.639 . . . . 0.0 114.959 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.256 -0.903 . . . . 0.0 113.672 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 mtm-85 -139.01 170.12 16.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.702 2.401 . . . . 0.0 111.153 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.41 138.14 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.52 125.28 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.86 151.9 38.96 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.574 -0.704 . . . . 0.0 112.494 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.04 101.8 7.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.703 1.601 . . . . 0.0 110.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -36.95 74.16 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.995 -1.066 . . . . 0.0 110.346 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -40.0 69.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.654 1.582 . . . . 0.0 110.823 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t -76.04 -41.82 49.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.281 1.432 . . . . 0.0 112.937 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.87 -33.13 68.37 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.86 1.209 . . . . 0.0 111.708 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -81.15 -5.02 57.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.965 1.306 . . . . 0.0 113.288 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.8 25.98 59.38 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 117.226 1.65 . . . . 0.0 117.226 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.43 26.75 1.04 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 t -44.7 121.84 2.89 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 113.001 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -175.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 122.096 0.95 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -129.07 14.13 6.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.467 2.307 . . . . 0.0 114.365 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -112.46 166.75 11.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.607 1.563 . . . . 0.0 111.42 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.76 135.1 34.27 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.943 -1.098 . . . . 0.0 111.963 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -95.52 104.93 17.48 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.04 141.97 15.16 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.488 2.126 . . . . 0.0 115.082 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.21 163.85 35.58 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 123.837 3.025 . . . . 0.0 109.935 171.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -42.92 -42.82 9.25 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.681 3.587 . . . . 0.0 117.433 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -66.3 -37.6 85.79 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.077 -1.014 . . . . 0.0 112.704 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.36 -28.18 41.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.499 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -39.48 79.94 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.32 1.418 . . . . 0.0 110.141 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -65.83 -44.43 85.59 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.104 0.561 . . . . 0.0 110.602 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -60.42 -43.46 96.73 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 111.12 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.11 -47.28 85.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.644 1.578 . . . . 0.0 110.012 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.09 -45.75 93.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.38 0.672 . . . . 0.0 111.577 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.14 -46.81 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.94 0.896 . . . . 0.0 110.654 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -59.89 -44.25 94.33 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.956 0.902 . . . . 0.0 110.681 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.895 0 C-N-CA 124.685 1.136 . . . . 0.0 112.771 176.645 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -54.45 -17.15 2.81 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.39 -28.85 69.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.54 1.136 . . . . 0.0 112.605 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -85.57 -25.61 26.62 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.925 0.784 . . . . 0.0 112.043 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.81 -18.73 39.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.702 1.201 . . . . 0.0 113.247 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.97 152.21 29.63 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.227 1.376 . . . . 0.0 114.238 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.01 151.66 51.01 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.587 1.955 . . . . 0.0 109.134 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -93.22 139.54 30.5 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.346 1.058 . . . . 0.0 113.241 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -82.93 140.05 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.797 1.639 . . . . 0.0 110.324 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.0 t -58.63 132.91 55.22 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.166 0.986 . . . . 0.0 111.819 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -65.77 -43.62 88.26 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.14 -0.975 . . . . 0.0 111.351 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.87 -25.57 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.338 0.655 . . . . 0.0 112.028 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -70.69 -44.57 66.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.698 -1.251 . . . . 0.0 110.369 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.37 -36.87 85.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.25 -19.42 63.13 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.758 2.023 . . . . 0.0 112.919 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 31.46 39.17 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.297 1.427 . . . . 0.0 114.112 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 p -128.93 -14.19 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -61.09 140.31 57.9 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.048 1.295 . . . . 0.0 111.399 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -137.52 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 111.774 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -147.84 147.43 27.02 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 126.922 2.089 . . . . 0.0 109.897 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.25 152.37 55.69 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 122.039 1.826 . . . . 0.0 110.198 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -52.27 -32.77 38.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.473 1.109 . . . . 0.0 112.866 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -67.41 -19.92 65.45 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.17 2.188 . . . . 0.0 114.359 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -119.96 -25.11 5.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.658 1.183 . . . . 0.0 113.493 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.64 151.96 46.01 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.495 0.664 . . . . 0.0 111.692 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -69.12 -12.61 61.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.458 1.503 . . . . 0.0 114.62 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -138.59 -179.95 6.11 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.213 1.805 . . . . 0.0 111.988 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.21 24.63 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -120.09 72.25 17.7 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 126.989 2.116 . . . . 0.0 110.437 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.07 165.07 31.46 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.861 3.041 . . . . 0.0 113.363 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -105.45 176.99 4.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.626 1.17 . . . . 0.0 111.918 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.1 -25.44 63.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.333 1.453 . . . . 0.0 113.967 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m -79.34 -18.46 52.44 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.528 1.531 . . . . 0.0 113.718 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.6 m -79.25 148.99 31.99 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.998 0.817 . . . . 0.0 111.698 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 46.87 0.43 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.829 1.252 . . . . 0.0 113.207 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.42 128.11 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.036 1.334 . . . . 0.0 111.295 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -150.13 132.95 15.99 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 111.283 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.9 t30 45.33 37.92 3.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.903 1.681 . . . . 0.0 115.04 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.45 13.77 83.19 Favored Glycine 0 CA--C 1.537 1.425 0 O-C-N 121.149 -0.97 . . . . 0.0 115.206 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -129.7 160.35 33.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.287 1.835 . . . . 0.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.23 138.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -79.19 129.15 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.37 152.03 30.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.611 0.764 . . . . 0.0 112.438 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.8 106.12 6.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.087 1.355 . . . . 0.0 110.48 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.71 -40.6 84.18 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.374 -0.829 . . . . 0.0 110.808 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.38 -44.5 95.56 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.738 -0.601 . . . . 0.0 111.192 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -66.59 -40.36 88.86 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.13 -0.981 . . . . 0.0 111.827 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.05 -33.11 72.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.196 0.998 . . . . 0.0 111.515 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -75.95 -5.7 47.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.527 1.531 . . . . 0.0 112.409 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.04 10.02 64.99 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.957 2.217 . . . . 0.0 115.918 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -155.65 92.52 1.39 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.041 1.421 . . . . 0.0 112.294 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -52.95 143.77 16.35 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.571 1.149 . . . . 0.0 110.237 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -173.332 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 121.078 0.466 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -131.71 -3.79 3.69 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.936 1.695 . . . . 0.0 115.332 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -89.95 168.9 11.66 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.497 1.119 . . . . 0.0 110.478 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 tp -84.68 135.11 34.29 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.128 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -101.19 104.8 35.32 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 147.98 13.37 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.461 2.107 . . . . 0.0 113.962 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.02 161.42 44.83 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 109.86 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.0 -40.87 8.9 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.492 3.462 . . . . 0.0 116.699 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -67.49 -46.81 71.84 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.118 1.326 . . . . 0.0 113.124 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.34 -34.0 70.12 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.318 -0.864 . . . . 0.0 110.894 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -61.55 -38.25 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.299 1.44 . . . . 0.0 111.033 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -66.89 -41.75 86.67 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.528 0.731 . . . . 0.0 110.342 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.12 -40.82 97.2 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.477 -0.764 . . . . 0.0 110.477 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -48.67 80.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.569 1.548 . . . . 0.0 110.293 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -57.32 -45.89 83.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.414 1.086 . . . . 0.0 111.745 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.56 -45.24 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.911 0.884 . . . . 0.0 110.754 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -65.11 -32.77 74.64 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.637 -0.664 . . . . 0.0 112.523 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 C-N-CA 124.048 0.832 . . . . 0.0 114.125 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.23 -17.45 53.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.849 -1.782 . . . . 0.0 114.009 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -27.64 68.4 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.941 -1.099 . . . . 0.0 113.853 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.4 -10.94 59.77 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.578 0.626 . . . . 0.0 111.761 173.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.98 -14.16 14.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.297 1.839 . . . . 0.0 113.462 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -79.9 150.9 30.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.471 1.487 . . . . 0.0 113.879 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -133.93 141.81 47.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.615 1.966 . . . . 0.0 109.722 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -74.51 139.1 43.59 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.093 1.357 . . . . 0.0 114.053 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -84.96 140.06 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.642 1.977 . . . . 0.0 110.543 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.88 131.96 51.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.774 1.273 . . . . 0.0 112.536 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.7 -35.62 77.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.272 1.429 . . . . 0.0 111.413 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.78 -29.49 50.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.25 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -65.97 -43.14 88.74 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.815 -1.178 . . . . 0.0 110.17 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.52 -33.9 76.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.183 0.993 . . . . 0.0 111.61 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -73.3 -17.36 61.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.066 1.347 . . . . 0.0 112.336 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.17 28.18 50.11 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.199 1.381 . . . . 0.0 113.336 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -118.2 -21.61 8.1 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.31 134.46 46.78 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.871 1.214 . . . . 0.0 110.667 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 p -140.12 59.79 1.56 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.714 1.205 . . . . 0.0 112.957 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -148.91 155.36 40.69 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 126.005 1.722 . . . . 0.0 111.679 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.15 158.55 57.32 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.478 2.119 . . . . 0.0 109.986 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.81 -32.44 44.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 113.599 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -67.52 -30.35 69.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.061 1.344 . . . . 0.0 114.343 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -93.56 0.02 56.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.233 1.413 . . . . 0.0 112.223 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -116.67 170.15 8.81 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.463 1.905 . . . . 0.0 111.934 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -99.67 -5.19 29.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.59 1.556 . . . . 0.0 114.81 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.53 -179.89 6.42 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.38 1.872 . . . . 0.0 111.716 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.8 148.15 23.38 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -120.2 71.64 17.31 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 127.403 2.281 . . . . 0.0 112.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -73.67 165.15 33.05 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.669 3.579 . . . . 0.0 114.784 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -96.3 169.69 9.76 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.148 1.379 . . . . 0.0 111.132 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.14 -20.55 58.93 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -91.63 -12.13 35.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 114.052 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -72.92 163.28 28.38 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.43 46.3 0.19 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.375 1.87 . . . . 0.0 112.72 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.37 123.68 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.44 139.84 17.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.151 1.38 . . . . 0.0 111.608 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 44.75 35.64 1.53 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.855 1.662 . . . . 0.0 115.258 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 14.28 82.3 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.022 -1.049 . . . . 0.0 115.11 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.53 166.44 21.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.995 2.118 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.61 139.03 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.83 125.19 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.21 151.15 22.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.538 0.735 . . . . 0.0 112.363 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.2 t -69.86 110.39 4.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE3' ' A' ' 58' ' ' LYS . 2.7 t80 -51.96 -47.25 64.88 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.641 1.577 . . . . 0.0 110.803 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -63.01 -40.8 98.84 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -69.52 -39.12 77.71 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.918 -1.114 . . . . 0.0 112.037 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.94 -26.17 61.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.219 1.408 . . . . 0.0 112.608 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -97.45 2.03 49.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 112.893 176.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.23 66.03 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.325 1.917 . . . . 0.0 117.694 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -154.33 92.5 1.51 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.497 1.648 . . . . 0.0 112.048 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -53.8 147.88 11.11 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.462 1.505 . . . . 0.0 111.727 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -175.719 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.363 1.078 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -81.95 -5.57 58.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.454 1.902 . . . . 0.0 115.343 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -90.15 169.71 10.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.775 1.23 . . . . 0.0 114.138 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.73 135.22 34.23 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.253 1.421 . . . . 0.0 110.745 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.2 104.77 31.67 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -83.1 159.02 15.45 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.847 2.365 . . . . 0.0 114.47 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -70.79 158.12 56.49 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.751 2.968 . . . . 0.0 110.71 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -44.61 -42.25 14.5 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 124.494 3.463 . . . . 0.0 116.624 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -66.37 -49.13 67.92 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.036 0.835 . . . . 0.0 112.775 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.91 -35.67 78.87 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.545 -0.722 . . . . 0.0 111.486 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -58.66 -46.22 87.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.482 1.113 . . . . 0.0 110.483 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.9 m -64.08 -44.48 92.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.276 0.63 . . . . 0.0 111.209 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -61.37 -38.28 86.44 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.036 0.835 . . . . 0.0 111.552 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.42 -47.3 79.65 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.023 0.929 . . . . 0.0 110.538 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.15 -39.85 87.8 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.33 -43.69 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.003 0.921 . . . . 0.0 110.312 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.34 -39.09 93.59 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.452 -0.78 . . . . 0.0 111.445 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 175.401 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -53.47 -21.36 6.07 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -62.49 -28.39 69.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.527 1.131 . . . . 0.0 113.654 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -82.36 -13.73 56.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.476 0.58 . . . . 0.0 112.111 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.81 -14.8 15.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 113.532 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 p -79.84 150.25 30.73 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -134.69 138.29 44.29 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.942 2.097 . . . . 0.0 108.622 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.76 148.62 36.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.95 140.01 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 126.55 1.94 . . . . 0.0 110.319 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.77 134.52 56.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.282 1.033 . . . . 0.0 112.215 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.03 -42.09 81.15 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.227 -0.92 . . . . 0.0 111.404 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.75 -30.01 69.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.09 0.556 . . . . 0.0 111.203 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -67.52 -44.39 78.49 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.759 -1.213 . . . . 0.0 110.669 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.24 -35.35 80.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.998 0.919 . . . . 0.0 111.516 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -76.59 -13.14 60.09 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.369 1.468 . . . . 0.0 113.402 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.26 55.68 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.863 1.22 . . . . 0.0 113.974 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -122.4 -18.16 6.83 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.29 133.85 55.69 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.02 1.282 . . . . 0.0 110.299 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -135.81 59.88 1.7 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.306 1.043 . . . . 0.0 113.222 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -158.99 155.86 25.34 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 126.749 2.019 . . . . 0.0 110.435 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.58 156.48 65.4 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.272 1.982 . . . . 0.0 112.888 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.02 -32.58 34.8 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.834 1.654 . . . . 0.0 113.379 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -70.49 -30.33 67.08 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.264 1.425 . . . . 0.0 113.275 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.3 -31.71 16.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.058 0.943 . . . . 0.0 112.483 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.86 156.92 38.33 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.263 1.03 . . . . 0.0 113.361 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -77.33 -11.51 59.84 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.013 1.725 . . . . 0.0 113.886 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -139.22 -179.91 6.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.388 1.875 . . . . 0.0 111.763 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 147.19 23.92 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -120.09 71.89 17.16 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 127.376 2.27 . . . . 0.0 110.615 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.96 165.14 33.61 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.525 3.484 . . . . 0.0 114.613 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 m -98.27 162.78 13.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.495 1.518 . . . . 0.0 110.037 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -55.72 -24.11 32.86 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -83.28 -14.96 51.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.315 1.446 . . . . 0.0 114.178 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.79 165.36 25.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.103 0.865 . . . . 0.0 112.537 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.81 44.28 0.22 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.55 1.54 . . . . 0.0 112.923 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -67.21 125.36 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.247 . . . . 0.0 110.052 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -150.94 129.96 12.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.613 1.165 . . . . 0.0 111.241 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 39.95 34.57 0.19 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.2 10.09 57.53 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -139.31 168.1 20.59 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.635 1.718 . . . . 0.0 112.539 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.42 142.6 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.731 1.212 . . . . 0.0 107.988 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.3 mt -77.81 125.77 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.73 152.0 24.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.805 0.842 . . . . 0.0 112.636 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.3 t -70.42 112.9 7.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.287 1.435 . . . . 0.0 111.135 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.22 -38.84 66.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.112 1.765 . . . . 0.0 111.018 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.32 -32.38 62.82 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.714 -0.616 . . . . 0.0 112.601 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -68.94 -38.77 79.69 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.862 -1.149 . . . . 0.0 110.375 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -23.12 48.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.456 1.903 . . . . 0.0 111.947 173.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -104.99 2.83 30.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.701 2.001 . . . . 0.0 113.678 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.56 7.75 75.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 118.28 2.072 . . . . 0.0 118.28 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -154.81 90.0 1.27 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.957 1.879 . . . . 0.0 112.368 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.1 t -51.17 134.03 27.52 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.931 1.292 . . . . 0.0 110.801 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.14 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.893 0.854 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -134.1 -6.76 2.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.288 2.235 . . . . 0.0 114.083 -172.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -96.59 170.13 9.41 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.599 1.96 . . . . 0.0 112.583 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.53 135.1 34.36 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.766 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -99.23 104.85 28.89 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.86 158.58 15.93 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.665 2.243 . . . . 0.0 113.96 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.88 160.73 45.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.479 2.786 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -43.73 -41.14 11.44 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.531 3.487 . . . . 0.0 116.508 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -67.5 -49.71 62.21 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.186 0.903 . . . . 0.0 113.022 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -35.56 77.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.085 0.857 . . . . 0.0 111.344 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.55 -47.04 83.11 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.042 1.337 . . . . 0.0 110.392 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -63.61 -43.16 97.69 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.259 0.623 . . . . 0.0 111.06 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -62.53 -35.87 80.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.914 0.779 . . . . 0.0 111.659 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.41 -48.6 77.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.17 0.988 . . . . 0.0 110.211 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.16 -40.33 89.52 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.714 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.72 -48.91 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.503 0.721 . . . . 0.0 110.001 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -59.36 -43.57 92.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 C-N-CA 123.791 0.71 . . . . 0.0 112.05 178.649 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 p -68.77 -15.17 63.43 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 119.914 -1.741 . . . . 0.0 113.476 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.52 -30.45 70.64 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.501 1.121 . . . . 0.0 113.372 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.95 -21.91 43.25 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.726 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.9 mt -91.09 -18.14 25.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.414 1.485 . . . . 0.0 113.343 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -79.81 149.2 31.12 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.606 1.548 . . . . 0.0 114.801 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -134.03 142.86 47.76 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.994 2.118 . . . . 0.0 109.441 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.83 141.74 40.54 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.513 1.125 . . . . 0.0 113.859 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.41 140.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.387 1.875 . . . . 0.0 109.971 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.86 133.42 56.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.064 0.945 . . . . 0.0 112.399 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -64.4 -43.71 93.58 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.95 0.9 . . . . 0.0 111.413 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.38 -31.66 70.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.695 0.798 . . . . 0.0 111.705 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.65 -42.9 95.12 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.874 -1.141 . . . . 0.0 110.882 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.3 -16.17 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.906 1.282 . . . . 0.0 113.267 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -109.2 0.09 19.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.516 1.926 . . . . 0.0 112.962 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 28.72 72.22 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.804 1.193 . . . . 0.0 114.563 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -117.93 -11.96 10.2 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.44 146.1 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.771 1.169 . . . . 0.0 111.089 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.12 59.74 1.56 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.243 1.017 . . . . 0.0 112.413 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -151.48 148.35 22.01 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.788 2.035 . . . . 0.0 110.309 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -72.22 157.34 53.98 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.219 1.946 . . . . 0.0 110.116 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.77 -32.73 32.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 112.318 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -65.54 -23.38 66.85 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.372 2.269 . . . . 0.0 114.828 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -117.47 -25.36 7.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.369 1.067 . . . . 0.0 113.349 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.58 153.78 42.95 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.773 0.797 . . . . 0.0 112.082 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -74.87 -7.54 53.8 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 114.566 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -139.19 -179.94 6.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.527 1.931 . . . . 0.0 111.531 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 144.83 25.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -120.2 70.92 16.2 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.991 2.117 . . . . 0.0 111.413 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.69 165.22 32.85 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.237 3.291 . . . . 0.0 114.537 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -98.95 161.39 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.448 1.499 . . . . 0.0 109.484 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -55.64 -26.06 42.35 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -79.16 -15.97 57.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.475 1.51 . . . . 0.0 114.328 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -76.78 163.28 26.95 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.326 0.966 . . . . 0.0 112.801 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -74.37 51.16 0.43 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.008 1.723 . . . . 0.0 112.746 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 t -74.53 128.52 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.971 1.308 . . . . 0.0 109.605 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -153.12 135.63 15.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.979 1.312 . . . . 0.0 111.201 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.2 t30 44.9 37.75 2.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.767 1.627 . . . . 0.0 114.999 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.32 14.0 82.09 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 115.261 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.26 166.83 20.32 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.727 2.011 . . . . 0.0 110.608 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.54 139.41 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.657 1.183 . . . . 0.0 108.097 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.8 mt -75.39 127.65 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 152.11 25.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.06 0.944 . . . . 0.0 112.496 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.35 109.26 4.63 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.925 1.29 . . . . 0.0 110.888 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.73 -42.45 93.16 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.834 0.854 . . . . 0.0 110.682 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.64 -42.63 97.35 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.701 -0.624 . . . . 0.0 111.539 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -66.24 -40.51 90.3 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.231 -0.918 . . . . 0.0 111.716 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.74 -32.99 72.25 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.221 1.008 . . . . 0.0 112.177 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.59 1.86 40.1 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.929 1.291 . . . . 0.0 112.642 174.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 8.6 66.66 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 126.539 2.019 . . . . 0.0 117.819 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -154.24 92.74 1.54 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.616 1.708 . . . . 0.0 112.081 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.17 136.47 42.46 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.265 1.026 . . . . 0.0 109.241 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -173.538 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 122.346 1.07 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -100.34 6.23 44.52 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.212 2.205 . . . . 0.0 114.509 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -104.58 168.92 8.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.304 1.442 . . . . 0.0 112.529 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -84.81 135.21 34.2 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.053 0.941 . . . . 0.0 111.143 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -103.53 104.61 42.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.55 159.14 7.91 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.1 2.533 . . . . 0.0 112.95 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.63 160.28 44.33 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.429 2.753 . . . . 0.0 111.967 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.43 -43.79 17.17 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.293 3.329 . . . . 0.0 115.849 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -61.74 -31.64 71.83 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.2 mt -86.01 -31.44 22.01 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.997 0.919 . . . . 0.0 111.389 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -57.41 -40.34 78.08 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.407 1.003 . . . . 0.0 110.713 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -59.93 -41.59 92.11 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.222 0.464 . . . . 0.0 111.809 175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -66.41 -38.91 88.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.305 -0.872 . . . . 0.0 110.825 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.49 89.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 110.142 176.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.72 -39.36 93.8 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.668 -0.645 . . . . 0.0 111.89 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.69 -47.18 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.407 -0.808 . . . . 0.0 109.68 175.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.33 85.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.38 0.672 . . . . 0.0 112.188 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.879 0 C-N-CA 123.515 0.578 . . . . 0.0 112.913 -179.149 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -61.02 -18.58 58.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.741 -1.849 . . . . 0.0 114.346 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -65.99 -26.58 67.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -77.32 -24.97 50.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.217 0.462 . . . . 0.0 111.167 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.81 -18.09 31.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.345 1.458 . . . . 0.0 113.074 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.8 149.9 30.9 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 121.106 1.776 . . . . 0.0 114.608 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.93 140.66 49.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.98 2.112 . . . . 0.0 108.823 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.33 147.75 41.95 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.54 140.01 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.967 1.707 . . . . 0.0 109.703 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.4 t -59.2 132.68 54.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.24 1.016 . . . . 0.0 112.499 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.18 -38.79 91.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.238 1.015 . . . . 0.0 112.104 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.84 -31.05 61.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.498 0.719 . . . . 0.0 111.913 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.73 -42.5 97.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.858 -1.151 . . . . 0.0 110.812 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -61.72 -16.15 46.77 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.841 1.656 . . . . 0.0 113.485 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -115.23 0.05 13.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.391 1.877 . . . . 0.0 113.431 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.64 69.98 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.916 1.246 . . . . 0.0 114.665 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -118.08 -7.68 10.79 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.0 t -71.02 150.04 46.0 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.332 0.969 . . . . 0.0 111.416 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -139.77 59.84 1.58 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.652 1.181 . . . . 0.0 112.653 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -154.91 149.09 19.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 126.742 2.017 . . . . 0.0 110.59 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.85 159.67 47.76 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.146 1.897 . . . . 0.0 109.459 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.09 -33.69 27.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.985 0.914 . . . . 0.0 112.272 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -62.76 -26.07 68.52 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.602 2.361 . . . . 0.0 114.759 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -120.07 -15.58 8.72 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -75.26 158.87 32.24 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 119.111 0.869 . . . . 0.0 111.702 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.78 -16.23 61.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 113.408 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -135.71 -179.93 5.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.349 1.859 . . . . 0.0 111.983 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.5 24.42 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -120.21 70.3 15.58 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.135 2.174 . . . . 0.0 111.121 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.7 165.18 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 124.14 3.227 . . . . 0.0 114.477 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -99.77 165.3 11.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.256 1.423 . . . . 0.0 110.34 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.66 -27.21 48.74 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.126 1.37 . . . . 0.0 114.62 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.7 m -85.78 -8.77 57.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.883 1.273 . . . . 0.0 114.339 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.97 163.6 25.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.423 1.01 . . . . 0.0 112.561 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -72.64 45.22 0.14 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.947 2.099 . . . . 0.0 113.576 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.45 121.23 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.836 1.254 . . . . 0.0 109.964 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -152.39 134.7 15.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.574 1.15 . . . . 0.0 110.979 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.53 36.23 3.44 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.633 1.573 . . . . 0.0 114.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 13.76 82.88 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.064 -1.022 . . . . 0.0 115.136 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -130.64 167.44 18.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.769 2.027 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.21 135.98 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.241 1.416 . . . . 0.0 107.658 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.78 129.72 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 151.3 32.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.509 0.723 . . . . 0.0 112.275 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.8 t -75.99 106.21 7.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.101 1.36 . . . . 0.0 109.3 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.75 -37.28 70.83 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.007 -1.058 . . . . 0.0 111.507 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.2 -33.49 76.13 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.344 -0.848 . . . . 0.0 111.421 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -70.07 -39.33 75.68 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.934 -1.104 . . . . 0.0 110.676 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.37 -33.14 72.03 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.163 0.892 . . . . 0.0 111.079 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.43 -10.04 59.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.466 1.506 . . . . 0.0 112.512 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 10.27 64.6 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 116.051 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -154.95 91.74 1.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.0 1.4 . . . . 0.0 111.755 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.6 t -55.85 137.23 50.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.736 1.214 . . . . 0.0 110.787 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -177.949 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 0 CA--C 1.546 0.803 0 CA-C-O 121.967 0.889 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -134.02 3.28 3.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.325 2.25 . . . . 0.0 114.782 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -94.18 169.97 9.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.343 1.457 . . . . 0.0 112.011 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 tp -84.73 135.06 34.3 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.071 -1.018 . . . . 0.0 111.429 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -99.5 104.81 29.61 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 173.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.33 146.1 13.79 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.206 1.937 . . . . 0.0 113.578 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.13 161.98 43.97 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.361 2.707 . . . . 0.0 109.808 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.15 -42.34 9.79 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 124.235 3.29 . . . . 0.0 116.877 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -66.36 -45.23 80.83 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.472 1.033 . . . . 0.0 112.971 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.14 -33.87 68.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.384 -0.823 . . . . 0.0 111.26 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.13 -39.76 91.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.737 1.215 . . . . 0.0 110.612 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -66.84 -42.65 85.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.788 0.835 . . . . 0.0 110.483 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.23 -36.69 82.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.393 -0.817 . . . . 0.0 111.156 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.02 77.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.43 1.092 . . . . 0.0 109.868 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.87 -42.79 85.3 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.264 0.626 . . . . 0.0 111.959 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.05 -47.64 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.36 -41.37 98.55 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.787 0.721 . . . . 0.0 111.568 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 C-N-CA 124.251 0.929 . . . . 0.0 110.875 176.626 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 121.907 0.86 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 p -64.23 -17.9 64.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -30.42 67.02 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.147 1.34 . . . . 0.0 113.907 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -80.41 -15.39 56.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.49 -15.16 15.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.942 1.697 . . . . 0.0 113.499 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.94 151.09 30.27 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.014 1.279 . . . . 0.0 113.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 150.74 52.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.871 2.068 . . . . 0.0 108.837 172.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -87.82 139.19 30.78 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.73 139.98 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.488 1.515 . . . . 0.0 109.759 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -56.57 130.42 45.05 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.934 0.894 . . . . 0.0 111.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.471 ' NH2' HE22 ' A' ' 23' ' ' GLN . 16.8 mmm180 -65.11 -33.35 75.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.941 0.896 . . . . 0.0 112.063 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.09 -32.21 39.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 112.396 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.56 -39.35 93.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.25 -0.906 . . . . 0.0 111.488 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . 0.471 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.3 mt-30 -60.26 -16.02 30.2 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.909 1.684 . . . . 0.0 113.542 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -116.9 0.08 12.37 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.648 1.979 . . . . 0.0 112.885 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.79 14.77 79.76 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.464 1.507 . . . . 0.0 114.493 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -86.95 -28.27 22.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.752 1.221 . . . . 0.0 113.164 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.31 141.01 57.31 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.927 0.891 . . . . 0.0 111.956 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 p -140.02 59.83 1.57 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.449 1.5 . . . . 0.0 111.991 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -151.59 142.73 15.45 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 126.606 1.962 . . . . 0.0 109.967 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.16 154.62 69.81 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.115 1.877 . . . . 0.0 112.069 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -51.19 -33.59 28.03 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.943 1.297 . . . . 0.0 112.732 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -64.27 -23.38 67.28 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.314 2.246 . . . . 0.0 114.694 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.94 -21.6 7.07 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.45 156.15 39.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.992 0.901 . . . . 0.0 112.052 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.31 -22.0 63.82 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.877 1.671 . . . . 0.0 113.228 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.22 -179.87 5.69 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.38 1.872 . . . . 0.0 112.529 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.74 145.39 25.23 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -174.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -120.18 73.37 19.94 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.031 2.132 . . . . 0.0 110.819 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.14 165.15 32.38 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.426 3.417 . . . . 0.0 114.554 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p -100.41 171.66 7.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.731 1.612 . . . . 0.0 111.543 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -21.03 58.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 m -91.66 -16.32 27.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.391 1.476 . . . . 0.0 113.606 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.9 152.95 44.63 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.637 -0.664 . . . . 0.0 112.058 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -78.08 52.51 1.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.762 1.225 . . . . 0.0 112.43 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.88 131.2 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.21 1.404 . . . . 0.0 110.71 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.87 135.88 14.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.832 1.253 . . . . 0.0 110.873 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.07 38.24 3.01 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 126.113 1.765 . . . . 0.0 114.466 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.18 12.5 84.29 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 120.989 -1.07 . . . . 0.0 115.296 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -126.22 162.18 26.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.029 2.132 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.59 139.88 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -74.39 130.03 36.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.58 149.1 21.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.002 0.921 . . . . 0.0 111.677 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.36 108.95 2.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.67 1.188 . . . . 0.0 112.268 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -57.7 -42.64 84.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.95 1.3 . . . . 0.0 111.211 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.14 -45.45 93.38 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.686 0.394 . . . . 0.0 111.301 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -39.88 89.98 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.096 -1.003 . . . . 0.0 112.312 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.25 -31.17 67.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.249 . . . . 0.0 112.482 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -92.14 9.24 34.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.07 1.348 . . . . 0.0 113.265 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 4.33 72.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 117.811 1.885 . . . . 0.0 117.811 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -152.02 93.03 1.78 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.535 1.667 . . . . 0.0 111.608 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.44 129.19 40.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 109.87 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -177.28 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 122.136 0.97 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -134.03 14.52 3.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.749 2.42 . . . . 0.0 113.066 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.88 170.24 8.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.058 2.143 . . . . 0.0 111.937 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -84.6 135.11 34.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.795 0.838 . . . . 0.0 110.79 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -104.57 104.65 46.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -89.48 161.22 5.44 Favored 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 123.174 2.583 . . . . 0.0 112.879 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.47 162.2 42.11 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.732 2.954 . . . . 0.0 112.024 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -44.2 -41.92 13.12 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.8 3.666 . . . . 0.0 116.837 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -64.36 -39.42 93.84 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.184 -0.947 . . . . 0.0 112.548 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 mt -77.3 -32.31 55.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.257 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.59 -43.18 93.78 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.902 1.228 . . . . 0.0 109.692 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.4 m -62.17 -44.5 96.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.494 0.718 . . . . 0.0 110.899 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.29 -37.82 84.55 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.505 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.52 -45.42 79.58 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.273 1.029 . . . . 0.0 110.337 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.69 -35.68 78.7 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.675 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.33 -47.06 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -56.91 -47.76 79.81 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.345 1.058 . . . . 0.0 110.706 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 C-N-CA 124.177 0.894 . . . . 0.0 113.917 178.05 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 120.94 0.4 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 p -68.38 -21.84 64.68 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.111 -1.618 . . . . 0.0 113.352 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.4 -32.78 67.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.877 1.271 . . . . 0.0 114.285 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -82.39 -21.48 35.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.87 -14.33 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.774 1.629 . . . . 0.0 112.644 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.81 147.8 31.66 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.864 1.666 . . . . 0.0 114.722 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.25 140.28 43.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.184 2.194 . . . . 0.0 109.035 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 146.54 47.78 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.6 140.01 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.031 1.732 . . . . 0.0 110.23 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -62.19 126.58 27.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.423 1.089 . . . . 0.0 111.865 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -61.87 -39.89 93.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.473 -0.767 . . . . 0.0 111.844 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.39 -26.57 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.42 0.688 . . . . 0.0 111.788 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -70.68 -42.71 70.35 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.859 -1.151 . . . . 0.0 110.159 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.68 -38.32 90.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.753 0.821 . . . . 0.0 111.068 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -70.02 -20.46 63.26 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.92 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.0 31.58 38.75 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.111 1.339 . . . . 0.0 113.571 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.5 p -124.26 -18.24 5.89 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.96 140.51 58.32 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.861 1.21 . . . . 0.0 111.218 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -137.55 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.772 1.229 . . . . 0.0 111.989 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -149.85 150.36 30.12 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 126.873 2.069 . . . . 0.0 110.226 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.31 155.9 50.99 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.133 1.889 . . . . 0.0 110.552 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.67 -32.92 44.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.987 0.915 . . . . 0.0 111.91 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.339 2.256 . . . . 0.0 114.811 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.04 -20.23 7.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -71.87 153.2 42.04 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 118.856 0.753 . . . . 0.0 111.627 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -72.2 -10.44 59.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.235 1.414 . . . . 0.0 114.763 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -138.45 -179.88 6.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.489 1.916 . . . . 0.0 111.412 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.9 24.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -120.07 78.29 24.82 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 127.124 2.17 . . . . 0.0 109.853 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.7 165.12 24.2 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.992 3.128 . . . . 0.0 115.095 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -105.43 175.65 5.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.358 1.863 . . . . 0.0 111.349 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.84 -20.52 65.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -91.56 -17.99 24.77 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.215 1.406 . . . . 0.0 113.252 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -65.8 137.77 57.46 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.017 0.826 . . . . 0.0 111.399 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -81.48 55.57 2.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.147 0.979 . . . . 0.0 111.573 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -63.22 134.06 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.085 1.754 . . . . 0.0 111.372 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 146.32 22.96 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.609 1.164 . . . . 0.0 111.993 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 46.88 32.35 1.79 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.912 1.685 . . . . 0.0 114.619 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 14.53 82.05 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 120.76 -1.213 . . . . 0.0 114.988 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -129.84 164.51 23.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.692 1.997 . . . . 0.0 111.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.26 139.18 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.64 126.23 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.59 149.06 33.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.103 0.961 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.9 t -70.37 111.98 6.34 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.631 1.572 . . . . 0.0 111.176 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -58.59 -39.52 80.59 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.948 1.299 . . . . 0.0 111.314 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.57 -29.91 65.26 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.305 -0.872 . . . . 0.0 112.249 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.8 t -68.6 -41.84 79.03 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.299 -0.876 . . . . 0.0 109.78 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.46 -33.04 74.04 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.457 1.103 . . . . 0.0 111.339 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.72 -10.04 59.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.297 1.439 . . . . 0.0 112.133 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.75 6.57 69.86 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.636 2.065 . . . . 0.0 116.347 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -154.88 92.14 1.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.176 1.488 . . . . 0.0 111.456 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 t -54.31 133.2 44.99 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.672 1.189 . . . . 0.0 110.873 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -173.939 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.7 t . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 122.362 1.077 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -132.13 19.57 4.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.809 2.444 . . . . 0.0 113.614 -172.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.6 168.17 10.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.694 1.997 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.72 135.14 34.26 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 111.135 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -96.83 104.72 19.48 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.42 143.24 13.64 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 113.235 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -73.38 161.96 41.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.478 2.785 . . . . 0.0 110.762 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.41 -43.28 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.425 3.416 . . . . 0.0 116.388 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -64.05 -32.62 74.24 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.225 0.921 . . . . 0.0 113.446 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.67 -27.56 27.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.473 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -57.65 -39.56 77.29 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.922 1.237 . . . . 0.0 110.516 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.2 m -60.55 -44.72 95.81 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.041 0.536 . . . . 0.0 111.39 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.9 -37.33 86.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.583 -0.698 . . . . 0.0 111.085 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -44.35 93.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.618 1.167 . . . . 0.0 110.685 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.67 -41.27 98.98 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.05 -1.031 . . . . 0.0 111.669 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.957 0.903 . . . . 0.0 109.792 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.55 -41.15 89.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.717 0.807 . . . . 0.0 110.452 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.59 0 C-N-CA 125.729 1.633 . . . . 0.0 112.239 176.086 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -56.87 -21.14 27.11 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.836 -1.79 . . . . 0.0 114.81 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.03 -29.13 67.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 113.464 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -87.21 -28.75 22.19 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.192 0.451 . . . . 0.0 111.922 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.38 -18.14 57.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.611 1.164 . . . . 0.0 112.698 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.72 150.32 30.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.76 136.16 47.36 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.108 2.163 . . . . 0.0 108.814 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.53 149.5 40.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.52 138.23 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.071 1.748 . . . . 0.0 109.98 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.4 t -59.76 123.58 17.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.066 0.946 . . . . 0.0 111.003 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -64.31 -38.81 92.37 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.427 -0.796 . . . . 0.0 111.995 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.79 -27.23 64.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.399 0.679 . . . . 0.0 112.242 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -68.82 -44.9 72.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.394 0.997 . . . . 0.0 109.986 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -64.75 -34.87 79.35 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 111.706 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -75.07 -14.13 60.56 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 0.0 113.268 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 35.22 28.19 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.869 1.224 . . . . 0.0 113.583 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -124.56 -29.39 3.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.452 1.501 . . . . 0.0 113.964 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 139.75 58.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.474 1.034 . . . . 0.0 111.684 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.7 m -138.21 59.85 1.63 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.305 1.442 . . . . 0.0 111.566 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -145.88 147.65 33.13 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.821 2.048 . . . . 0.0 110.088 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -73.0 154.63 52.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 121.921 1.747 . . . . 0.0 109.993 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.09 -34.85 45.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.921 0.888 . . . . 0.0 111.997 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -60.25 -24.98 65.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.666 2.387 . . . . 0.0 114.598 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.11 -18.54 8.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.15 145.46 35.65 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.244 0.929 . . . . 0.0 111.144 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.01 -14.57 49.57 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.5 -179.96 5.91 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.26 1.824 . . . . 0.0 111.894 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.36 24.48 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -120.14 66.41 11.47 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.251 2.221 . . . . 0.0 110.752 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.09 165.08 33.71 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.908 3.072 . . . . 0.0 114.041 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -103.39 165.11 11.23 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.659 1.584 . . . . 0.0 109.85 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.67 -24.21 32.7 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -73.63 -20.07 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.386 1.475 . . . . 0.0 113.955 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.77 161.97 24.29 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.015 0.825 . . . . 0.0 112.597 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -73.42 46.52 0.2 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.377 1.871 . . . . 0.0 112.848 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.54 128.17 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.909 1.283 . . . . 0.0 110.384 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.93 139.8 17.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.823 1.249 . . . . 0.0 110.737 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 41.3 35.91 0.46 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.46 14.17 71.63 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -143.37 166.32 25.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.796 1.638 . . . . 0.0 112.432 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.99 139.75 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.733 1.213 . . . . 0.0 108.027 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.67 126.74 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.82 148.81 28.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.487 0.715 . . . . 0.0 111.641 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.6 t -69.39 112.98 6.3 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.708 1.203 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.8 -39.96 86.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.401 1.08 . . . . 0.0 111.461 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -67.9 -35.91 79.3 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.584 -0.698 . . . . 0.0 111.552 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -67.91 -40.28 83.42 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.24 -0.912 . . . . 0.0 111.073 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.37 -32.43 71.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.225 1.01 . . . . 0.0 111.685 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -80.65 -4.45 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.3 1.44 . . . . 0.0 112.852 174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.74 67.88 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 126.424 1.964 . . . . 0.0 116.695 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -153.23 91.91 1.56 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.3 1.55 . . . . 0.0 111.32 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.36 132.05 51.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.263 1.025 . . . . 0.0 110.454 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -175.677 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.546 0.818 0 CA-C-O 121.553 0.692 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -133.98 5.13 3.58 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.956 2.102 . . . . 0.0 114.11 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -96.38 169.64 9.78 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.808 1.643 . . . . 0.0 111.515 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.71 135.04 34.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.96 -1.087 . . . . 0.0 111.509 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -99.05 104.82 28.14 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.48 142.22 10.39 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.544 2.163 . . . . 0.0 114.707 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.04 162.58 41.66 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 124.414 3.41 . . . . 0.0 110.61 173.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.05 -45.43 9.34 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.6 3.533 . . . . 0.0 117.335 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -66.41 -38.46 87.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.756 1.162 . . . . 0.0 112.565 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.27 -27.98 63.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.558 -0.714 . . . . 0.0 111.313 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.93 -39.4 91.93 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.938 1.245 . . . . 0.0 110.176 172.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.2 m -64.91 -43.8 91.64 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.717 -0.615 . . . . 0.0 110.691 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -60.51 -39.37 87.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.608 -0.682 . . . . 0.0 110.898 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.59 -47.83 79.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.428 1.091 . . . . 0.0 110.302 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.01 -39.72 86.78 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.131 0.878 . . . . 0.0 112.926 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.86 -46.44 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.784 0.834 . . . . 0.0 109.667 176.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -61.69 -42.31 98.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.352 0.661 . . . . 0.0 110.846 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.444 0 C-N-CA 125.9 1.714 . . . . 0.0 112.667 179.311 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.705 0.764 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -59.57 -16.41 25.15 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -51.32 -32.02 23.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.6 1.56 . . . . 0.0 113.537 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -87.84 -26.18 22.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.45 -13.96 44.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.605 1.162 . . . . 0.0 112.586 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.82 152.71 29.58 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -139.06 146.28 40.59 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.181 2.592 . . . . 0.0 109.28 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.62 140.76 33.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.0 t -87.61 140.03 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.205 1.802 . . . . 0.0 110.287 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -58.5 134.68 56.91 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.069 0.948 . . . . 0.0 112.351 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -64.8 -45.69 85.18 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.336 -0.852 . . . . 0.0 111.021 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -68.01 -26.08 65.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.485 0.714 . . . . 0.0 112.202 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.92 -44.42 69.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.138 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.13 -34.98 79.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.169 0.988 . . . . 0.0 111.317 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.51 -19.49 63.72 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.832 1.653 . . . . 0.0 112.796 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.99 28.8 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 112.359 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -122.76 -34.96 3.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.847 1.659 . . . . 0.0 113.642 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -64.25 135.0 55.84 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.217 0.917 . . . . 0.0 111.156 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 m -139.84 59.72 1.58 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.72 1.208 . . . . 0.0 112.251 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -148.63 153.83 40.16 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.959 2.103 . . . . 0.0 110.036 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.84 152.1 63.43 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.779 1.653 . . . . 0.0 110.43 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.53 -25.16 36.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -66.37 -30.08 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.268 1.427 . . . . 0.0 112.246 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.29 -31.92 11.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.959 1.304 . . . . 0.0 112.703 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.27 170.04 14.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.775 0.83 . . . . 0.0 111.58 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.61 -11.96 49.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.259 1.424 . . . . 0.0 113.838 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.13 -179.81 6.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 112.344 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.72 145.14 25.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.639 0.776 . . . . 0.0 112.986 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.13 74.07 20.65 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.706 2.002 . . . . 0.0 111.434 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.44 165.09 33.7 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.13 3.22 . . . . 0.0 114.104 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -94.48 160.53 14.61 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.996 1.318 . . . . 0.0 109.53 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -57.69 -22.77 48.03 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.379 1.071 . . . . 0.0 113.711 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -78.94 -23.84 44.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.007 2.123 . . . . 0.0 114.376 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.03 160.21 32.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.965 0.906 . . . . 0.0 112.958 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -75.52 54.72 0.77 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.168 1.387 . . . . 0.0 112.59 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.26 130.79 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.92 1.288 . . . . 0.0 109.488 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.05 134.75 17.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.545 1.138 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 40.78 32.01 0.14 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.023 2.529 . . . . 0.0 117.378 179.202 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 13.97 58.29 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.576 1.084 . . . . 0.0 114.529 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -130.16 162.51 28.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.918 2.087 . . . . 0.0 110.805 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.72 138.82 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.547 1.139 . . . . 0.0 108.083 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.04 126.97 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 151.99 29.72 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.783 0.833 . . . . 0.0 112.728 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.8 106.05 4.6 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.617 1.567 . . . . 0.0 109.881 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.41 -37.23 67.35 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.608 1.163 . . . . 0.0 111.538 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.47 -31.15 70.24 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.575 -0.703 . . . . 0.0 111.984 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.7 t -69.36 -37.69 77.74 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.176 -0.952 . . . . 0.0 110.539 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.22 -33.08 72.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.285 -0.885 . . . . 0.0 111.112 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.45 -3.04 48.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.779 1.232 . . . . 0.0 113.235 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.76 82.66 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.709 1.623 . . . . 0.0 116.222 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -153.43 89.11 1.32 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.185 1.492 . . . . 0.0 111.838 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.4 t -51.4 126.16 16.33 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.174 1.39 . . . . 0.0 110.771 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 -175.23 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 121.876 0.846 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -134.2 35.53 3.25 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.024 2.13 . . . . 0.0 112.119 177.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -117.36 168.22 10.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.198 2.199 . . . . 0.0 110.69 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.76 135.07 34.28 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.885 -1.135 . . . . 0.0 112.315 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -96.23 104.96 19.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.176 1.39 . . . . 0.0 107.465 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.39 135.07 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.06 1.84 . . . . 0.0 115.211 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.36 163.37 39.01 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.652 2.902 . . . . 0.0 109.672 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -42.96 -43.48 9.35 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.403 3.402 . . . . 0.0 117.556 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -67.9 -44.84 76.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.503 1.047 . . . . 0.0 112.843 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 mt -71.74 -32.79 68.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.362 -0.836 . . . . 0.0 111.319 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.9 -38.55 86.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.955 1.302 . . . . 0.0 110.436 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 m -67.87 -43.84 78.49 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.123 0.569 . . . . 0.0 110.27 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -35.5 77.34 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.2 -0.937 . . . . 0.0 111.144 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.91 -50.47 66.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.132 1.373 . . . . 0.0 110.25 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.31 -32.39 73.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.88 1.218 . . . . 0.0 112.897 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.29 -47.95 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.352 0.661 . . . . 0.0 109.553 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.25 -43.81 92.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.003 0.921 . . . . 0.0 110.508 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.617 0 C-N-CA 125.773 1.654 . . . . 0.0 112.137 176.32 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 p -63.05 -14.17 44.86 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.883 -1.761 . . . . 0.0 114.653 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.85 -29.91 69.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.12 0.968 . . . . 0.0 113.037 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -78.62 -16.6 57.18 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.76 -0.587 . . . . 0.0 112.21 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.48 -16.58 19.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 0.0 113.376 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.84 146.31 32.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.605 1.548 . . . . 0.0 114.069 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -133.49 138.06 45.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.541 1.936 . . . . 0.0 109.339 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -76.56 142.52 40.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.605 1.162 . . . . 0.0 113.806 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.29 140.0 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.079 2.151 . . . . 0.0 110.506 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.45 136.46 56.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.218 1.007 . . . . 0.0 112.298 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -63.71 -51.91 62.91 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.063 0.945 . . . . 0.0 110.864 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -28.84 70.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.858 0.863 . . . . 0.0 112.454 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -66.22 -41.38 90.19 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.969 -1.082 . . . . 0.0 110.539 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.05 -32.4 72.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.06 0.944 . . . . 0.0 111.703 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -78.79 -11.84 60.0 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.969 0.908 . . . . 0.0 112.974 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.25 29.78 52.39 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.972 1.272 . . . . 0.0 114.01 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.1 p -121.86 -18.71 6.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.19 135.77 56.6 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.942 1.247 . . . . 0.0 110.204 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -136.74 59.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.304 1.041 . . . . 0.0 113.292 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -159.86 154.89 21.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 126.286 1.835 . . . . 0.0 111.145 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.04 155.18 69.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.192 1.928 . . . . 0.0 110.876 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -54.05 -31.86 52.79 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -64.56 -26.17 68.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.973 1.309 . . . . 0.0 112.897 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.72 -20.38 15.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.4 1.48 . . . . 0.0 112.248 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.73 170.07 15.49 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.993 1.317 . . . . 0.0 112.391 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -92.43 -8.03 45.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.183 1.793 . . . . 0.0 114.472 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -142.39 -179.92 6.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.818 2.047 . . . . 0.0 111.632 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.64 148.44 23.32 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -120.2 78.26 25.81 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 126.557 1.943 . . . . 0.0 111.014 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.58 165.17 30.22 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.362 3.375 . . . . 0.0 114.754 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -105.38 169.26 8.56 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.161 1.784 . . . . 0.0 110.946 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -55.7 -31.09 62.15 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.563 1.145 . . . . 0.0 113.855 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -76.22 -19.42 58.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.349 1.459 . . . . 0.0 114.141 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.52 142.13 50.13 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.316 -0.865 . . . . 0.0 111.191 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -81.57 58.25 3.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.837 0.827 . . . . 0.0 111.787 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.64 133.75 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.693 1.997 . . . . 0.0 111.102 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.11 144.87 22.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.118 0.967 . . . . 0.0 112.667 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 43.38 31.97 0.45 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.545 1.938 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.82 9.96 73.45 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 120.827 -1.171 . . . . 0.0 115.926 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 167.72 21.27 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.94 1.87 . . . . 0.0 112.331 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.64 141.21 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.189 0.996 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -73.94 126.57 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.17 152.03 26.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.876 0.87 . . . . 0.0 112.594 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.8 t -71.78 106.76 4.27 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 110.584 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.05 -39.91 75.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 111.559 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -64.74 -42.43 95.19 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 0.0 111.651 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -68.75 -37.8 79.67 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.135 -0.978 . . . . 0.0 112.048 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.18 -26.01 64.44 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.739 1.216 . . . . 0.0 112.642 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -98.33 7.17 46.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.847 1.659 . . . . 0.0 112.963 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.05 6.3 69.48 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 117.918 1.927 . . . . 0.0 117.918 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -152.51 88.12 1.34 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.189 1.995 . . . . 0.0 112.884 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -53.43 128.1 27.41 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.041 1.336 . . . . 0.0 110.303 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.671 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 t . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 122.413 1.102 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -127.59 12.51 6.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.995 2.518 . . . . 0.0 112.76 -175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -104.12 169.62 8.38 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.083 1.753 . . . . 0.0 111.941 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.78 135.14 34.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.894 0.877 . . . . 0.0 111.112 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -102.01 104.71 37.83 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -85.71 160.57 10.65 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.092 2.528 . . . . 0.0 113.472 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.34 158.59 44.53 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.713 2.942 . . . . 0.0 111.824 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -45.19 -43.46 16.37 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.679 3.586 . . . . 0.0 116.579 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -62.74 -40.55 97.58 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.243 -0.911 . . . . 0.0 112.053 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -79.54 -28.3 41.26 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.889 0.876 . . . . 0.0 111.46 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.342 0.974 . . . . 0.0 109.664 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 m -64.2 -44.77 90.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.411 0.685 . . . . 0.0 110.416 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -60.95 -37.82 83.69 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.737 -0.602 . . . . 0.0 111.191 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.33 -46.82 78.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.263 1.025 . . . . 0.0 110.529 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.49 -44.55 80.77 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.241 0.616 . . . . 0.0 110.181 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.7 mt -63.04 -45.46 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.294 1.038 . . . . 0.0 110.916 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -53.75 -45.22 70.5 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.553 1.141 . . . . 0.0 112.222 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 CA-C-O 119.546 -0.586 . . . . 0.0 114.239 178.757 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 121.752 0.787 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.6 p -68.1 -12.99 61.86 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.562 -1.336 . . . . 0.0 114.569 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -56.13 -27.4 53.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.791 1.236 . . . . 0.0 113.439 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -86.61 -17.9 32.76 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.12 -15.75 24.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.52 1.528 . . . . 0.0 112.754 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.77 152.21 29.93 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.399 1.454 . . . . 0.0 114.179 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -133.08 145.35 50.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.869 2.067 . . . . 0.0 108.363 173.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.25 141.37 35.62 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.92 139.68 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.947 1.299 . . . . 0.0 109.272 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.72 132.81 54.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.051 0.941 . . . . 0.0 111.956 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -65.29 -41.85 93.71 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.899 0.88 . . . . 0.0 111.503 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.74 -26.86 61.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.364 0.666 . . . . 0.0 111.703 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.41 -42.74 82.77 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.729 -1.232 . . . . 0.0 110.362 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.3 -35.64 81.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.205 1.002 . . . . 0.0 111.54 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -75.0 -16.37 60.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.94 1.296 . . . . 0.0 113.089 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.98 44.8 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.013 1.292 . . . . 0.0 113.458 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.1 p -124.81 -13.71 6.87 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.89 145.5 56.21 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.965 1.257 . . . . 0.0 111.166 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 p -140.08 59.69 1.57 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.459 1.104 . . . . 0.0 113.072 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -149.6 148.75 26.74 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.825 2.05 . . . . 0.0 110.116 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.74 157.77 51.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.986 1.791 . . . . 0.0 110.149 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.32 -32.45 25.24 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.029 0.932 . . . . 0.0 112.237 176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -64.35 -24.76 67.75 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.622 2.369 . . . . 0.0 115.006 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -120.0 -20.31 7.52 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.3 155.16 41.0 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.792 0.806 . . . . 0.0 111.679 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.83 -9.69 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.07 1.348 . . . . 0.0 113.997 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.79 -179.93 6.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.432 1.893 . . . . 0.0 111.985 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 143.38 26.84 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.09 71.11 15.96 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 127.055 2.142 . . . . 0.0 110.863 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.62 165.12 33.48 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.974 3.116 . . . . 0.0 114.035 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.38 167.8 9.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.728 1.611 . . . . 0.0 110.212 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.73 -26.34 44.89 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -78.54 -16.37 57.53 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.586 1.554 . . . . 0.0 114.197 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -77.88 157.04 30.01 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.15 0.886 . . . . 0.0 112.423 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 50.08 0.61 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.309 1.444 . . . . 0.0 112.209 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.09 127.23 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.874 -1.141 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.65 130.11 12.97 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.348 1.059 . . . . 0.0 111.413 -176.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 45.91 36.91 3.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.77 1.628 . . . . 0.0 115.249 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 115.458 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -131.93 167.42 19.66 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.625 1.97 . . . . 0.0 110.733 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.04 137.34 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mt -74.86 129.49 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.02 151.99 25.59 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.716 0.807 . . . . 0.0 112.513 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.76 109.83 8.56 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.059 1.344 . . . . 0.0 110.241 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.37 -45.73 84.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.357 1.063 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -60.83 -38.43 85.43 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.615 -0.678 . . . . 0.0 111.925 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -70.32 -39.86 74.51 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.333 -0.854 . . . . 0.0 111.66 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.29 -29.62 65.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.57 1.148 . . . . 0.0 112.101 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.86 5.45 51.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.469 1.508 . . . . 0.0 113.263 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.01 5.92 70.07 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 118.566 2.186 . . . . 0.0 118.566 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -152.67 88.68 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.419 2.11 . . . . 0.0 112.104 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.1 t -52.88 126.18 19.41 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.019 1.328 . . . . 0.0 111.16 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 124.878 1.271 . . . . 0.0 114.221 -174.831 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 122.626 1.203 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -132.19 0.65 3.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.217 2.607 . . . . 0.0 112.505 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -89.93 167.69 12.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.027 1.731 . . . . 0.0 111.272 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 tp -84.68 135.18 34.27 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.972 -1.08 . . . . 0.0 112.088 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -101.69 104.67 36.37 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 171.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -89.73 161.44 5.18 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 C-N-CA 122.993 2.462 . . . . 0.0 112.385 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.0 160.4 47.69 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.29 2.66 . . . . 0.0 111.702 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.3 -44.18 13.1 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.389 3.393 . . . . 0.0 116.218 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -62.27 -30.74 71.34 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -86.03 -31.66 21.86 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.403 1.081 . . . . 0.0 111.292 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -58.35 -46.34 86.46 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.644 1.111 . . . . 0.0 110.32 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -60.52 -41.92 95.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.038 0.535 . . . . 0.0 111.72 177.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.99 -40.23 94.93 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.68 -0.638 . . . . 0.0 110.954 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.69 -47.43 83.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.14 0.976 . . . . 0.0 111.02 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -63.4 -38.42 91.08 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.37 -0.831 . . . . 0.0 112.366 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.05 -48.16 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.546 0.738 . . . . 0.0 110.092 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -60.8 -41.9 96.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.228 0.611 . . . . 0.0 111.25 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 C-N-CA 124.22 0.914 . . . . 0.0 111.864 176.948 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -66.87 -16.98 64.66 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 119.785 -1.822 . . . . 0.0 113.21 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -59.1 -26.32 64.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.863 1.265 . . . . 0.0 113.491 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -87.23 -21.04 26.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.002 0.819 . . . . 0.0 112.2 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.33 -15.28 38.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.8 144.44 33.54 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -130.11 134.91 47.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.846 2.058 . . . . 0.0 110.349 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.06 140.71 58.36 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.553 1.541 . . . . 0.0 114.41 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -90.25 140.02 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.523 1.929 . . . . 0.0 110.404 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -61.94 124.12 19.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.385 1.074 . . . . 0.0 112.932 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -35.88 78.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.285 1.034 . . . . 0.0 112.293 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.66 -32.13 62.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.219 0.608 . . . . 0.0 111.083 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.6 -42.25 91.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.773 -1.204 . . . . 0.0 110.301 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.54 -16.18 54.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.384 1.474 . . . . 0.0 113.651 175.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.99 0.12 15.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.938 1.695 . . . . 0.0 112.686 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.18 28.0 70.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.912 1.244 . . . . 0.0 114.834 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.4 p -115.39 -14.97 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 t -68.99 144.01 54.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.402 1.001 . . . . 0.0 111.041 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.09 59.96 1.56 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.341 1.056 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -149.24 150.1 30.95 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 126.576 1.95 . . . . 0.0 110.551 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.96 156.71 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.109 1.873 . . . . 0.0 110.251 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -52.03 -33.15 37.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.003 0.921 . . . . 0.0 112.242 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -64.0 -24.67 67.8 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 127.463 2.305 . . . . 0.0 114.968 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -120.01 -18.68 8.09 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.1 163.61 25.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.428 1.109 . . . . 0.0 112.9 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -73.49 -19.39 60.94 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.557 1.943 . . . . 0.0 114.104 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.89 -179.71 6.37 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.208 2.203 . . . . 0.0 111.575 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 148.89 22.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -120.04 78.62 24.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.041 2.137 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.02 165.14 31.14 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.414 3.409 . . . . 0.0 115.188 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.6 p -105.46 175.62 5.43 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.367 1.867 . . . . 0.0 110.794 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.77 -21.64 66.52 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 m -91.57 -17.13 26.09 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.277 1.431 . . . . 0.0 113.68 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -65.58 147.35 53.55 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.686 0.675 . . . . 0.0 112.362 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -81.39 64.4 6.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.317 1.047 . . . . 0.0 111.654 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.75 135.37 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.236 1.415 . . . . 0.0 109.559 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -154.98 135.52 13.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.28 1.432 . . . . 0.0 110.823 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 42.76 39.49 1.7 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.228 1.811 . . . . 0.0 115.5 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.59 13.25 80.46 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 120.879 -1.138 . . . . 0.0 115.414 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -131.05 169.2 16.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.915 2.086 . . . . 0.0 110.556 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.21 137.97 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.3 mt -72.86 127.54 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.56 152.06 22.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.094 0.958 . . . . 0.0 113.026 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.35 106.09 3.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.82 1.648 . . . . 0.0 110.554 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.51 -42.52 64.38 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.403 1.081 . . . . 0.0 111.902 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -64.11 -32.88 74.61 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.57 -0.707 . . . . 0.0 112.007 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 t -69.36 -41.65 76.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.632 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.69 -33.06 71.09 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.412 1.006 . . . . 0.0 111.772 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -81.09 -2.46 48.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.814 1.246 . . . . 0.0 112.831 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.08 69.96 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 126.279 1.895 . . . . 0.0 117.291 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -154.64 92.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.391 1.595 . . . . 0.0 111.851 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.3 t -56.8 131.3 48.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.94 0.896 . . . . 0.0 109.345 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.092 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 CA--C 1.548 0.881 0 CA-C-O 122.093 0.949 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -134.05 17.78 3.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.882 2.473 . . . . 0.0 112.66 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -109.38 170.03 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.033 2.133 . . . . 0.0 112.642 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.1 tp -84.53 135.11 34.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.995 -1.066 . . . . 0.0 111.925 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -97.73 104.82 23.07 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.65 150.0 16.55 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.383 2.055 . . . . 0.0 113.609 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.37 162.75 41.26 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.382 2.721 . . . . 0.0 110.793 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -42.97 -42.65 9.33 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.536 3.491 . . . . 0.0 117.015 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -66.09 -48.87 69.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.174 0.897 . . . . 0.0 112.954 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.82 -33.84 71.1 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.423 -0.798 . . . . 0.0 111.597 176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.89 -47.05 87.32 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.137 1.375 . . . . 0.0 110.372 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.9 m -63.68 -42.99 97.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.356 0.663 . . . . 0.0 110.836 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.62 -38.77 91.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.655 0.661 . . . . 0.0 111.222 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.98 -46.01 89.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.63 0.772 . . . . 0.0 110.757 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.61 -37.86 85.49 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.291 -0.88 . . . . 0.0 111.789 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.3 -45.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.108 0.963 . . . . 0.0 110.235 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.68 -40.7 88.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.044 0.938 . . . . 0.0 110.314 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.654 0 C-N-CA 125.109 1.337 . . . . 0.0 110.918 175.95 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t0 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -57.07 -18.75 15.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.24 -1.537 . . . . 0.0 114.662 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.07 -26.32 68.19 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.737 1.153 . . . . 0.0 113.019 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -80.29 -12.67 59.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.695 0.68 . . . . 0.0 112.367 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.72 -15.79 14.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.624 1.57 . . . . 0.0 113.57 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -79.9 151.64 30.04 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.62 1.555 . . . . 0.0 113.709 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.1 mt -133.08 138.88 46.88 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.891 2.076 . . . . 0.0 108.654 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.5 146.47 40.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.41 140.03 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.219 1.807 . . . . 0.0 109.807 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.16 134.5 57.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 112.419 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -68.52 -42.06 79.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.888 0.875 . . . . 0.0 111.567 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.79 -28.06 66.44 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.182 0.593 . . . . 0.0 111.502 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.7 -44.64 73.52 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.755 -1.216 . . . . 0.0 110.556 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.64 -35.26 80.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.152 0.981 . . . . 0.0 111.295 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -73.05 -20.36 60.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.094 1.758 . . . . 0.0 112.915 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 33.05 34.2 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.396 1.474 . . . . 0.0 113.736 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -128.16 -11.63 5.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.9 148.7 42.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.876 1.216 . . . . 0.0 112.415 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -140.0 59.82 1.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.804 1.242 . . . . 0.0 113.512 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -152.89 150.12 23.58 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 126.859 2.064 . . . . 0.0 110.764 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.08 158.75 48.92 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.159 1.906 . . . . 0.0 109.594 173.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.75 -33.5 23.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.237 1.015 . . . . 0.0 112.587 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -64.41 -25.84 68.19 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.385 2.274 . . . . 0.0 114.745 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -120.04 -14.76 8.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.89 157.68 32.98 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.036 0.834 . . . . 0.0 111.476 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.64 -9.52 58.75 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.219 1.408 . . . . 0.0 114.685 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -141.36 -179.9 6.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.805 2.042 . . . . 0.0 111.225 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 147.83 23.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -175.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -120.24 71.6 17.47 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 127.225 2.21 . . . . 0.0 111.186 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.69 165.11 33.1 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 124.023 3.149 . . . . 0.0 113.844 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 t -105.45 177.36 4.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.77 1.228 . . . . 0.0 111.62 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.12 -27.31 66.94 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.214 1.406 . . . . 0.0 113.468 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -80.16 -16.49 54.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.399 1.48 . . . . 0.0 114.141 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.7 m -78.87 150.44 32.21 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.201 0.909 . . . . 0.0 112.111 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -79.72 62.74 4.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.082 0.953 . . . . 0.0 111.405 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 t -72.73 129.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.229 1.412 . . . . 0.0 109.598 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -144.38 129.7 18.8 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.334 1.453 . . . . 0.0 111.634 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 42.43 40.46 1.88 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.907 1.683 . . . . 0.0 115.253 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.26 78.36 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.092 -1.005 . . . . 0.0 115.285 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -133.35 166.06 23.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.9 2.08 . . . . 0.0 110.48 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.6 138.46 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -75.83 126.68 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 151.33 30.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.561 0.745 . . . . 0.0 112.166 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 t -75.77 112.26 11.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.081 1.352 . . . . 0.0 110.523 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.73 -44.37 85.98 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.394 -0.816 . . . . 0.0 110.99 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -62.7 -39.72 94.9 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.888 -0.508 . . . . 0.0 111.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -69.11 -38.47 78.92 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.964 -1.085 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.79 -33.02 72.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.317 1.047 . . . . 0.0 110.9 174.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -6.89 52.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.595 1.558 . . . . 0.0 112.543 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 8.79 66.31 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 126.976 2.227 . . . . 0.0 116.267 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -155.89 92.88 1.4 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.925 1.363 . . . . 0.0 111.591 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.3 t -55.1 142.43 30.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.133 0.973 . . . . 0.0 110.268 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 124.923 1.289 . . . . 0.0 114.213 -175.619 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 121.678 0.751 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 6.33 3.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 114.959 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.26 166.98 11.3 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.449 1.5 . . . . 0.0 109.173 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -84.63 135.07 34.33 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.56 -1.338 . . . . 0.0 111.789 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -102.22 104.69 38.48 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -87.1 151.18 8.21 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.793 2.329 . . . . 0.0 114.966 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.58 164.23 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.083 3.188 . . . . 0.0 110.613 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.2 -41.65 9.81 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.498 3.466 . . . . 0.0 117.023 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -68.14 -54.22 19.58 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.57 1.077 . . . . 0.0 112.102 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.87 -34.02 75.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.2 0.909 . . . . 0.0 111.651 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.96 -42.28 97.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.575 1.15 . . . . 0.0 110.399 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -64.36 -42.88 95.99 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.526 0.73 . . . . 0.0 110.751 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.93 -39.13 88.23 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.393 -0.817 . . . . 0.0 110.931 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -46.01 86.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.985 . . . . 0.0 110.739 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.44 -44.2 89.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.858 . . . . 0.0 111.104 176.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.31 -43.99 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 0.0 110.598 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -60.5 -38.7 85.17 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.633 1.173 . . . . 0.0 111.046 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 C-N-CA 124.769 1.176 . . . . 0.0 113.033 176.447 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.35 15.48 2.21 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.966 1.706 . . . . 0.0 113.295 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.15 163.16 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 126.162 1.785 . . . . 0.0 111.469 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -148.29 156.57 42.7 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.162 1.385 . . . . 0.0 111.65 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -139.32 147.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.041 1.336 . . . . 0.0 112.311 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 m -62.54 135.76 95.68 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 125.493 1.517 . . . . 0.0 110.881 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.56 -32.26 43.25 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.768 2.979 . . . . 0.0 115.505 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 pt -120.04 160.02 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.904 2.081 . . . . 0.0 112.404 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -60.53 131.26 50.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.905 1.282 . . . . 0.0 110.882 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -79.1 99.71 7.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.131 0.572 . . . . 0.0 111.65 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.6 p -70.35 -16.71 63.01 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.298 -1.501 . . . . 0.0 113.755 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -56.93 -30.0 63.6 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.904 1.282 . . . . 0.0 113.77 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 p-90 -82.04 -12.14 58.44 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 mt -107.36 -15.36 14.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.566 1.546 . . . . 0.0 113.367 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.77 150.4 30.79 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.919 1.236 . . . . 0.0 114.045 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -130.99 147.53 52.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.116 1.766 . . . . 0.0 109.455 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.39 137.62 35.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.584 1.154 . . . . 0.0 113.682 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.52 139.24 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.342 1.457 . . . . 0.0 109.242 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.79 132.61 52.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.938 0.875 . . . . 0.0 112.27 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.463 ' NH2' HE22 ' A' ' 23' ' ' GLN . 5.3 mmp_? -63.0 -37.78 88.56 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.551 1.14 . . . . 0.0 112.012 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.99 -28.68 39.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 112.51 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -63.45 -42.2 98.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.811 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.463 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.7 mt-30 -66.0 -16.24 63.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.108 1.363 . . . . 0.0 113.192 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -105.6 -5.83 19.79 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.524 1.93 . . . . 0.0 112.927 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.78 28.81 70.18 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.707 1.146 . . . . 0.0 113.52 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.4 p -118.14 -8.95 10.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.68 150.14 46.27 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 119.337 0.972 . . . . 0.0 111.49 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -140.03 59.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.779 1.232 . . . . 0.0 112.656 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.32 148.99 19.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 126.701 2.001 . . . . 0.0 110.727 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.22 159.71 49.03 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.154 1.903 . . . . 0.0 109.644 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -51.84 -31.25 26.9 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.079 0.951 . . . . 0.0 112.716 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -68.69 -22.49 64.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.386 2.275 . . . . 0.0 114.838 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -119.97 -19.06 8.0 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.64 160.24 32.55 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.03 0.919 . . . . 0.0 112.077 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.98 -20.44 61.02 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.986 1.714 . . . . 0.0 113.015 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -132.39 -179.95 5.75 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.467 1.907 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 145.6 25.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -120.14 74.97 22.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.896 2.078 . . . . 0.0 110.227 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.18 165.1 31.45 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.21 3.273 . . . . 0.0 114.224 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -100.09 172.71 7.03 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.592 1.557 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.53 -19.15 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.198 0.999 . . . . 0.0 112.991 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 m -89.22 -15.98 32.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.509 1.523 . . . . 0.0 113.539 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.1 m -73.95 149.99 41.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.996 0.816 . . . . 0.0 111.608 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -79.19 51.38 1.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.48 1.112 . . . . 0.0 112.495 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.65 134.25 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.318 1.447 . . . . 0.0 111.232 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -152.84 134.66 14.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.567 1.147 . . . . 0.0 111.131 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 43.01 38.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.296 1.839 . . . . 0.0 115.404 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.34 76.62 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.046 -1.034 . . . . 0.0 115.002 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -134.86 160.94 36.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.393 2.277 . . . . 0.0 110.626 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.53 140.56 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.14 128.01 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.07 23.58 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.378 0.671 . . . . 0.0 112.132 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.34 110.6 3.62 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.539 1.536 . . . . 0.0 111.487 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -52.51 -48.04 66.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.163 1.785 . . . . 0.0 111.173 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.78 -40.48 95.34 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.946 -0.472 . . . . 0.0 111.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.0 t -68.18 -40.78 82.17 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.141 -0.975 . . . . 0.0 111.721 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 54.2 mt -59.05 -32.94 70.21 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 112.071 176.54 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -83.62 0.21 47.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.17 1.388 . . . . 0.0 112.78 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 8.53 66.92 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.476 1.989 . . . . 0.0 117.138 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -154.97 90.66 1.3 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.449 1.625 . . . . 0.0 112.224 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 t -55.23 144.08 25.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.161 0.984 . . . . 0.0 110.521 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -118.7 19.85 13.06 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.733 1.213 . . . . 0.0 113.531 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -130.17 179.79 5.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.123 2.169 . . . . 0.0 109.967 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -16.7 6.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.039 1.336 . . . . 0.0 113.556 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -157.7 57.46 0.49 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.982 1.713 . . . . 0.0 110.422 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 p -79.76 148.34 31.51 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 122.717 1.246 . . . . 0.0 112.406 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -77.37 -7.67 56.45 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -89.97 169.51 11.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.021 1.328 . . . . 0.0 112.628 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.7 135.15 34.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.862 1.265 . . . . 0.0 111.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.7 104.7 40.4 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -88.42 162.08 6.75 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 123.352 2.701 . . . . 0.0 112.132 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.85 159.57 50.2 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.346 2.697 . . . . 0.0 111.912 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.91 -41.5 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.891 3.727 . . . . 0.0 116.708 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -64.17 -43.1 96.18 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.292 -0.88 . . . . 0.0 112.063 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.67 -33.54 66.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.496 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.45 -44.07 89.07 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.829 1.195 . . . . 0.0 109.75 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.1 m -63.71 -45.14 91.32 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.735 0.814 . . . . 0.0 111.382 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.6 -39.14 90.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.158 0.89 . . . . 0.0 111.284 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 2.3 tm? -65.92 -46.14 79.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.724 0.809 . . . . 0.0 110.682 176.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.59 -35.91 81.05 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.056 -1.028 . . . . 0.0 111.948 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.66 -42.33 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.653 1.115 . . . . 0.0 109.957 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.63 -40.39 96.85 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.648 -0.658 . . . . 0.0 111.287 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.31 -52.0 44.26 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.797 0.713 . . . . 0.0 111.649 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -54.96 -36.42 65.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.051 1.74 . . . . 0.0 113.54 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.67 -29.66 64.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.383 0.992 . . . . 0.0 112.882 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -76.85 -38.37 53.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.806 0.73 . . . . 0.0 111.151 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -63.84 -40.67 97.14 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.563 0.62 . . . . 0.0 110.463 174.567 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.72 -27.05 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 125.582 1.553 . . . . 0.0 110.204 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 52.07 45.12 28.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.432 2.293 . . . . 0.0 112.06 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.45 -33.33 20.66 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.625 1.57 . . . . 0.0 114.245 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.49 -22.19 66.71 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.13 1.372 . . . . 0.0 113.601 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 126.225 1.81 . . . . 0.0 110.661 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.436 0 C4'-C3'-C2' 100.277 -2.423 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 N19-C1'-C2' 118.05 2.906 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 1 O4'-C1'-N19 116.068 7.868 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.443 2 O4'-C1'-N19 116.082 7.882 . 0.231 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 O4'-C1'-N19 115.743 7.543 . 0.159 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 115.188 6.988 . 0.389 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 P-O3'-C3' 122.247 2.122 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 C3'-C2'-C1' 105.498 4.443 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.665 1 P-O3'-C3' 125.226 4.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C3'-C2'-C1' 103.744 2.494 . 0.303 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 112.046 3.846 . 0.396 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.085 1 O4'-C1'-N19 115.558 7.358 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.196 1 O4'-C1'-N19 113.253 5.053 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 1 O4'-C1'-N19 113.355 5.155 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.14 12.12 2.83 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.94 1.696 . . . . 0.0 113.46 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.73 156.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.875 1.27 . . . . 0.0 112.785 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -154.39 168.71 25.75 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.227 1.411 . . . . 0.0 111.544 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.62 159.25 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 126.311 1.844 . . . . 0.0 111.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.7 m -62.44 135.6 95.46 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 123.863 0.865 . . . . 0.0 111.407 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.25 -33.02 53.19 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.079 3.186 . . . . 0.0 115.922 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.1 158.84 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.265 1.826 . . . . 0.0 112.485 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -78.97 171.48 15.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.117 1.767 . . . . 0.0 111.612 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -142.83 99.86 3.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.164 0.985 . . . . 0.0 112.23 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -61.98 -17.27 56.46 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -59.18 -24.37 63.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -83.33 -20.53 34.17 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.69 -16.16 21.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.806 1.642 . . . . 0.0 113.102 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -79.71 149.01 31.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.71 1.596 . . . . 0.0 114.252 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -135.98 137.65 41.48 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.75 2.02 . . . . 0.0 108.978 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -75.66 144.79 41.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 113.703 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -88.01 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.161 2.184 . . . . 0.0 110.803 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.79 134.53 55.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.492 1.117 . . . . 0.0 113.062 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.49 -37.44 87.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 112.348 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.58 -31.52 41.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.116 0.966 . . . . 0.0 111.82 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.63 -42.26 99.49 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -63.55 -16.37 60.61 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.039 1.335 . . . . 0.0 113.404 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -109.21 -0.0 19.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.033 2.133 . . . . 0.0 112.829 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 25.1 75.58 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.01 1.29 . . . . 0.0 114.549 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 p -110.16 -15.29 14.04 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.96 140.1 47.17 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.425 1.012 . . . . 0.0 109.794 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -140.04 59.88 1.56 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.15 0.98 . . . . 0.0 113.589 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -158.47 155.69 25.95 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.54 159.41 52.91 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.134 1.889 . . . . 0.0 111.594 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.66 -38.31 54.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.084 1.354 . . . . 0.0 112.077 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m -61.56 -28.01 69.03 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 113.737 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -97.31 -30.44 12.96 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.647 1.179 . . . . 0.0 112.287 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -74.21 170.02 16.4 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.057 0.932 . . . . 0.0 112.946 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -90.86 -13.39 33.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.803 1.641 . . . . 0.0 113.111 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -136.15 -179.87 5.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.52 1.928 . . . . 0.0 112.175 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.77 147.46 23.8 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -120.12 68.89 13.66 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 127.56 2.344 . . . . 0.0 111.614 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.75 165.13 33.49 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.378 3.385 . . . . 0.0 114.458 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -95.33 169.47 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.836 1.255 . . . . 0.0 111.38 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -19.81 57.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.306 1.043 . . . . 0.0 113.772 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -91.65 -13.53 31.67 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.632 1.573 . . . . 0.0 113.791 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -72.47 158.93 34.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.005 0.82 . . . . 0.0 112.513 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.74 39.95 0.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.165 2.186 . . . . 0.0 113.137 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.7 130.14 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.321 1.448 . . . . 0.0 111.748 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -153.97 139.72 18.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.827 1.251 . . . . 0.0 111.177 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.9 t30 43.8 31.95 0.54 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.599 1.959 . . . . 0.0 115.394 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 10.48 69.37 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 120.782 -1.199 . . . . 0.0 115.951 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 167.2 22.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.999 1.9 . . . . 0.0 112.323 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.77 140.58 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.444 1.097 . . . . 0.0 108.659 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mt -76.57 128.23 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 149.35 32.97 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.033 0.933 . . . . 0.0 113.02 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.95 112.48 7.15 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.515 1.526 . . . . 0.0 111.39 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.08 -46.27 85.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.961 1.305 . . . . 0.0 111.477 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -64.09 -39.26 93.66 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.654 -0.654 . . . . 0.0 112.018 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 t -67.22 -39.73 86.29 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.29 -0.881 . . . . 0.0 111.535 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -59.93 -33.03 71.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.123 0.969 . . . . 0.0 111.99 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.62 0.02 40.37 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.131 1.372 . . . . 0.0 112.84 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 5.96 69.89 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.247 1.88 . . . . 0.0 117.034 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.71 90.51 1.48 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.345 1.573 . . . . 0.0 110.938 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.89 129.7 43.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.052 0.941 . . . . 0.0 110.468 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p -155.91 19.96 0.38 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.737 1.215 . . . . 0.0 113.783 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.74 143.91 49.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.735 1.214 . . . . 0.0 113.406 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.88 -36.88 73.01 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.614 1.166 . . . . 0.0 112.288 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -150.4 95.97 2.33 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.658 1.983 . . . . 0.0 107.317 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.6 t -79.91 112.13 16.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.919 0.866 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -130.84 2.15 4.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 127.547 2.339 . . . . 0.0 112.615 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.02 167.56 12.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.415 1.886 . . . . 0.0 111.764 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.4 tp -84.62 135.29 34.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.182 0.993 . . . . 0.0 111.791 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -98.18 104.73 24.32 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.63 150.79 13.04 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.913 2.409 . . . . 0.0 113.547 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.1 158.94 48.57 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.818 3.012 . . . . 0.0 110.95 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.29 -40.36 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 124.307 3.338 . . . . 0.0 116.24 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.75 -28.37 67.57 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.0 -28.82 23.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.135 0.88 . . . . 0.0 111.189 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -55.37 -35.14 64.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.641 0.655 . . . . 0.0 111.058 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.7 m -58.65 -46.21 87.66 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.302 0.641 . . . . 0.0 112.242 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.39 -36.51 79.24 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.313 -0.867 . . . . 0.0 110.507 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -44.04 97.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.749 . . . . 0.0 110.541 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.96 -44.14 93.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.195 -0.941 . . . . 0.0 111.774 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.09 -48.81 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.761 0.824 . . . . 0.0 110.472 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.1 -46.75 88.55 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 110.823 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.89 -56.36 25.57 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.632 1.111 . . . . 0.0 112.408 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -57.09 -43.54 82.28 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.99 0.916 . . . . 0.0 113.3 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -59.68 -40.67 88.61 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.183 0.447 . . . . 0.0 111.815 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -66.81 -18.04 65.18 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.64 -21.65 66.11 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 121.81 2.096 . . . . 0.0 111.217 171.469 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.1 mt -87.77 -26.23 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 125.743 1.617 . . . . 0.0 111.477 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -125.48 41.65 3.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.066 1.747 . . . . 0.0 113.122 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.96 -26.23 4.04 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -57.96 -30.17 65.78 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.663 1.185 . . . . 0.0 113.252 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 126.681 1.992 . . . . 0.0 109.75 178.28 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.18 1 O4'-C1'-N19 114.067 5.867 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O4'-C1'-N19 111.085 2.885 . 0.505 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.209 3.009 . 0.033 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.461 3.261 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 O4'-C1'-N19 115.188 6.988 . 0.501 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 1 O4'-C1'-N19 112.418 4.218 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O3'-P-O5' 98.566 -2.86 . 0.183 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 2 C3'-C2'-C1' 105.909 4.899 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . 0.414 HO2' " H5'" ' B' ' 104' ' ' ' U' . . . . . . . . 0 P--O5' 1.615 2.226 0 P-O3'-C3' 124.374 3.895 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . 0.414 " H5'" HO2' ' B' ' 103' ' ' ' U' . . . . . . . . 0 O4'--C4' 1.421 -2.628 2 O4'-C1'-N19 112.428 4.228 . 0.441 &a . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 117.124 8.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.886 3.686 . 0.01 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.507 -3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.912 3.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.118 1 O4'-C1'-N19 112.292 4.092 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.29 166.32 30.33 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.073 1.749 . . . . 0.0 111.913 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.64 162.66 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.867 1.667 . . . . 0.0 111.683 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -153.63 167.77 28.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.465 1.506 . . . . 0.0 111.245 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.61 141.94 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.85 1.66 . . . . 0.0 109.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.3 m -62.39 132.36 94.15 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 125.17 1.388 . . . . 0.0 111.57 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.38 165.93 30.03 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.114 2.543 . . . . 0.0 112.648 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.11 159.99 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.263 1.425 . . . . 0.0 112.202 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -145.27 160.04 42.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.594 1.957 . . . . 0.0 110.958 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -157.58 99.83 1.75 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.938 0.895 . . . . 0.0 112.271 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.2 p -57.11 -18.2 13.87 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.7 -29.45 66.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.515 1.126 . . . . 0.0 113.511 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -83.92 -16.23 45.02 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.442 0.564 . . . . 0.0 112.288 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.48 -17.22 21.65 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.584 1.554 . . . . 0.0 113.057 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -79.78 147.66 31.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 114.038 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.9 mt -130.03 143.38 50.76 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.898 2.079 . . . . 0.0 109.069 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.57 143.87 51.42 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.92 137.83 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.474 1.11 . . . . 0.0 109.27 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.34 131.48 50.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.557 1.143 . . . . 0.0 112.3 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -67.68 -39.45 84.46 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.077 0.951 . . . . 0.0 111.645 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.26 -28.67 64.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.185 0.594 . . . . 0.0 111.654 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.34 -42.54 83.4 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.815 -1.178 . . . . 0.0 110.348 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.29 -38.68 90.98 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.223 1.009 . . . . 0.0 111.233 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.33 -20.37 62.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.516 1.527 . . . . 0.0 112.864 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.06 36.91 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.206 1.384 . . . . 0.0 113.329 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -122.32 -14.6 7.85 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.589 1.556 . . . . 0.0 114.802 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.55 141.44 53.82 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.602 1.092 . . . . 0.0 110.933 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -139.94 59.77 1.57 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.573 1.149 . . . . 0.0 112.539 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -150.25 151.5 31.65 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 127.091 2.156 . . . . 0.0 110.362 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.33 158.9 50.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 122.181 1.921 . . . . 0.0 110.577 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -51.63 -33.2 32.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.396 1.078 . . . . 0.0 112.185 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 -23.43 67.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.827 2.451 . . . . 0.0 114.997 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -116.53 -23.76 8.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.59 161.17 31.12 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 122.099 0.952 . . . . 0.0 112.497 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.35 -20.5 58.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.949 1.7 . . . . 0.0 113.044 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -133.49 -179.78 5.73 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.329 1.852 . . . . 0.0 112.178 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 145.92 24.81 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -119.98 76.42 22.23 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.154 2.182 . . . . 0.0 110.875 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -69.93 165.08 32.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.53 2.82 . . . . 0.0 114.61 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.65 169.42 8.48 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.661 1.984 . . . . 0.0 110.274 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -55.81 -31.66 62.87 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -84.89 -14.17 48.64 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 114.337 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.1 m -69.36 148.37 49.75 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.184 0.902 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -80.45 61.53 4.23 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.958 0.885 . . . . 0.0 112.076 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -66.46 135.02 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 108.511 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -146.96 119.82 8.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.3 1.44 . . . . 0.0 111.249 -174.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.0 t30 43.35 43.43 4.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.013 1.725 . . . . 0.0 114.366 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.83 18.91 78.39 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 121.197 -0.939 . . . . 0.0 115.087 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -128.88 170.03 13.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.396 2.279 . . . . 0.0 109.381 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.66 135.06 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.37 128.1 35.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.68 151.99 24.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.637 0.775 . . . . 0.0 112.347 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.98 111.35 9.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.109 1.364 . . . . 0.0 110.217 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.03 -46.43 75.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.234 1.014 . . . . 0.0 110.919 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.41 -39.6 91.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.958 0.503 . . . . 0.0 111.957 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 t -70.33 -37.65 74.72 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.921 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.69 -28.46 68.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.367 1.067 . . . . 0.0 111.923 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.05 0.52 57.52 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.421 1.488 . . . . 0.0 112.762 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 9.55 65.46 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 126.283 1.897 . . . . 0.0 117.737 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -154.26 89.54 1.29 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.917 1.858 . . . . 0.0 112.479 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -51.25 133.99 28.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.009 1.323 . . . . 0.0 110.582 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.4 m -139.62 33.3 2.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -126.81 141.8 51.72 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.939 -1.101 . . . . 0.0 112.296 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -73.4 -34.97 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.18 1.392 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -119.15 62.71 0.79 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.138 1.775 . . . . 0.0 109.322 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.3 t -79.64 123.61 27.79 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.578 1.18 . . . . 0.0 109.322 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -132.86 8.73 4.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.02 2.528 . . . . 0.0 114.009 -171.092 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -101.03 169.05 9.21 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.316 1.846 . . . . 0.0 111.359 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.58 135.17 34.31 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.115 -0.99 . . . . 0.0 111.334 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -101.68 104.63 36.07 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 172.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.89 152.05 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.481 2.12 . . . . 0.0 113.15 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.75 162.29 41.88 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.262 2.642 . . . . 0.0 110.806 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.85 -40.25 8.1 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.638 3.559 . . . . 0.0 116.781 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.17 -52.23 43.95 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.421 1.009 . . . . 0.0 112.73 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.19 -35.99 81.89 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.439 -0.788 . . . . 0.0 111.607 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -58.41 -46.54 86.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.45 1.5 . . . . 0.0 110.135 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -64.41 -42.66 95.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.317 0.647 . . . . 0.0 111.269 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.12 -38.45 88.98 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.329 0.968 . . . . 0.0 111.192 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.84 -49.67 73.98 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.848 0.859 . . . . 0.0 110.408 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.13 -39.19 89.08 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.608 -0.682 . . . . 0.0 112.094 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.48 -46.35 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.717 0.807 . . . . 0.0 110.196 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.19 -41.61 99.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.231 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.37 90.48 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.109 0.861 . . . . 0.0 112.098 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.43 -42.95 91.9 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.983 0.913 . . . . 0.0 112.086 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.35 -38.94 85.4 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.387 0.539 . . . . 0.0 111.793 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -67.03 -34.0 76.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.391 0.676 . . . . 0.0 112.612 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.402 HD13 ' C2 ' ' B' ' 103' ' ' ' U' . 34.5 mt -68.5 -39.66 81.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.41 0.684 . . . . 0.0 110.822 175.241 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.63 -39.38 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.287 1.035 . . . . 0.0 110.985 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -158.1 124.15 4.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.686 1.194 . . . . 0.0 110.759 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -57.19 -34.07 68.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -67.52 -18.42 65.03 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.284 1.434 . . . . 0.0 112.997 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t30 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 127.247 2.219 . . . . 0.0 109.899 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.925 0 O4'-C1'-N19 110.613 2.413 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.227 0 O4'-C1'-N19 111.768 3.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 1 O4'-C1'-N19 114.467 6.267 . 0.417 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 112.097 3.897 . 0.164 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 O4'-C1'-N19 111.416 3.216 . 0.664 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.286 2 O4'-C1'-N19 115.88 7.68 OUTLIER-DELTA 0.023 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O3'-P-O5' 98.775 -2.75 . 0.053 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 2 C3'-C2'-C1' 105.423 4.359 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . 0.402 ' C2 ' HD13 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.616 2.293 0 P-O3'-C3' 124.472 3.977 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 1 O4'-C1'-N19 112.647 4.447 . 0.461 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 112.018 3.818 . 0.107 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 1 O4'-C1'-N19 112.296 4.096 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 O4'-C1'-N19 111.038 2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 1 O4'-C1'-N19 114.094 5.894 . 0.076 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.1 0 O4'-C1'-N19 110.951 2.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 CA--C 1.545 0.767 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.57 168.12 25.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.925 1.69 . . . . 0.0 111.978 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.51 163.88 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.072 1.749 . . . . 0.0 111.605 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -61.46 150.69 34.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.661 1.184 . . . . 0.0 112.938 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.83 158.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.652 1.581 . . . . 0.0 111.443 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.0 m -62.51 132.93 94.53 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 124.206 1.002 . . . . 0.0 111.336 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.72 159.51 11.3 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.863 3.042 . . . . 0.0 115.781 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.27 160.15 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.724 2.41 . . . . 0.0 111.738 174.671 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -130.01 -179.85 5.46 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.887 1.675 . . . . 0.0 111.18 178.44 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -65.21 99.63 0.4 Allowed 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.552 1.524 . . . . 0.0 114.887 -172.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -69.92 -14.53 62.76 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.936 -1.728 . . . . 0.0 114.533 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -59.46 -28.91 67.41 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.221 1.008 . . . . 0.0 113.403 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -86.44 -16.55 36.83 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.165 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.91 -14.42 23.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.79 1.636 . . . . 0.0 113.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.85 147.14 31.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.418 1.463 . . . . 0.0 114.071 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.3 mt -130.51 149.24 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.032 2.133 . . . . 0.0 110.099 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.95 139.18 31.43 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.785 1.234 . . . . 0.0 113.943 -175.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.13 139.89 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 110.642 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.54 125.43 23.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.707 0.803 . . . . 0.0 111.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.0 -29.74 70.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.624 0.77 . . . . 0.0 112.868 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.3 -37.25 60.93 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.449 0.568 . . . . 0.0 110.136 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.83 -41.07 96.03 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.555 -1.341 . . . . 0.0 110.612 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.06 -18.99 50.7 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.967 1.707 . . . . 0.0 112.732 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -111.29 0.07 16.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.707 2.003 . . . . 0.0 113.278 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.73 30.08 68.8 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.013 1.292 . . . . 0.0 114.752 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -119.88 -7.85 9.92 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -176.536 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.91 146.54 49.49 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.599 1.09 . . . . 0.0 111.36 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -139.93 59.79 1.57 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.948 1.299 . . . . 0.0 111.916 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -150.45 150.44 28.88 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.93 2.092 . . . . 0.0 110.093 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.13 151.22 49.23 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 122.175 1.917 . . . . 0.0 110.36 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -51.69 -34.0 36.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.455 1.102 . . . . 0.0 112.709 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -64.61 -23.25 67.2 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.423 1.889 . . . . 0.0 114.42 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -120.0 -20.97 7.28 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.68 146.6 51.47 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 118.814 0.734 . . . . 0.0 110.345 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -66.39 -10.16 40.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -136.58 -179.95 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.507 1.923 . . . . 0.0 111.549 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 146.87 24.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.977 0.911 . . . . 0.0 113.195 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -120.11 74.43 21.03 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.107 2.163 . . . . 0.0 109.823 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.4 165.11 32.76 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.968 3.112 . . . . 0.0 114.724 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.9 m -105.45 168.44 9.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.928 1.691 . . . . 0.0 110.582 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -55.58 -25.44 38.28 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -77.17 -14.82 59.72 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.357 1.463 . . . . 0.0 114.09 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -81.13 158.75 24.88 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.206 1.002 . . . . 0.0 112.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -80.54 51.08 1.4 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.501 1.121 . . . . 0.0 112.411 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.13 118.91 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.062 1.345 . . . . 0.0 111.222 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.39 138.96 17.77 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.503 1.121 . . . . 0.0 110.878 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 44.91 34.5 1.24 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.022 1.729 . . . . 0.0 114.97 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 24.42 72.0 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 120.868 -1.145 . . . . 0.0 114.617 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -136.0 160.05 39.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.373 2.269 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.76 140.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.599 1.16 . . . . 0.0 109.006 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -77.5 126.66 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.0 152.11 24.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.451 0.7 . . . . 0.0 112.241 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.97 110.21 7.1 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.126 1.37 . . . . 0.0 110.43 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.47 -40.24 82.17 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.196 -0.94 . . . . 0.0 111.666 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -62.89 -39.74 95.41 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.711 -0.618 . . . . 0.0 111.31 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -68.81 -40.22 79.66 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.055 -1.028 . . . . 0.0 111.681 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.71 -33.01 72.24 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.168 -0.957 . . . . 0.0 111.188 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -78.04 -6.95 56.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.091 1.757 . . . . 0.0 112.466 174.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 10.86 64.09 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 127.026 2.251 . . . . 0.0 117.006 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -156.34 93.97 1.45 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.133 1.466 . . . . 0.0 111.447 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -56.28 139.48 48.02 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.723 1.209 . . . . 0.0 110.348 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 m -136.94 19.93 3.02 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.42 138.54 34.71 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.68 -1.262 . . . . 0.0 111.937 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.12 -35.78 77.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.74 1.616 . . . . 0.0 111.72 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -147.0 92.76 2.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.087 2.155 . . . . 0.0 106.973 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 t -79.84 138.05 37.1 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.767 1.227 . . . . 0.0 110.805 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 19.58 3.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.58 170.09 8.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.331 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -84.67 135.16 34.28 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.931 -1.106 . . . . 0.0 111.964 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -101.33 104.71 35.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -82.25 153.01 16.18 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.617 2.212 . . . . 0.0 114.566 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.74 161.1 39.99 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.0 3.134 . . . . 0.0 110.177 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -44.39 -43.14 13.8 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.13 3.22 . . . . 0.0 116.733 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -65.16 -43.83 90.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.259 0.936 . . . . 0.0 113.121 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -76.66 -32.33 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.596 0.758 . . . . 0.0 110.989 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.29 -37.49 85.72 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.262 1.425 . . . . 0.0 110.406 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -64.88 -43.4 93.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.298 0.639 . . . . 0.0 110.512 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -61.97 -36.08 80.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.822 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.13 -50.38 66.26 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.497 0.719 . . . . 0.0 111.155 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.79 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.888 1.222 . . . . 0.0 112.648 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.01 -44.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.499 -0.751 . . . . 0.0 109.485 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -39.31 92.63 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.533 -0.73 . . . . 0.0 110.594 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.02 -50.81 63.58 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.861 1.219 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -51.51 -52.03 50.19 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.647 1.579 . . . . 0.0 112.426 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.02 -31.06 71.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.77 -16.4 60.72 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.87 -34.55 78.18 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.682 1.583 . . . . 0.0 109.625 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -34.58 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 125.003 1.321 . . . . 0.0 109.274 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -79.84 65.05 4.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.253 1.821 . . . . 0.0 110.37 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -49.95 -21.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.211 2.204 . . . . 0.0 115.267 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.25 -26.53 40.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.485 1.514 . . . . 0.0 113.373 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 111.95 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.178 1 O4'-C1'-N19 114.896 6.696 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 1 O4'-C1'-N19 112.658 4.458 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C3'-C2'-C1' 104.441 3.268 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 O4'-C1'-N19 113.033 4.833 . 0.091 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.561 0 O4'-C1'-N19 110.823 2.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.597 0 O5'-C5'-C4' 115.277 3.626 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 1 P-O3'-C3' 129.301 8.0 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 2 O4'-C1'-N19 112.587 4.387 . 0.019 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 P-O3'-C3' 123.477 3.148 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 O4'-C1'-C2' 102.575 -2.732 . 0.397 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 112.21 4.01 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 110.931 2.731 . 0.162 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.01 1 O4'-C1'-N19 112.359 4.159 . 0.554 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C1'-O4'-C4' 106.567 -3.37 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O3'-P-O5' 99.851 -2.184 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.22 166.87 28.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.966 1.706 . . . . 0.0 111.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.37 163.51 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.946 1.699 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.7 t -152.61 175.57 12.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.268 1.427 . . . . 0.0 111.569 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.04 157.83 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.442 1.497 . . . . 0.0 113.194 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.45 131.52 93.96 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.745 1.218 . . . . 0.0 111.091 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.19 165.8 31.26 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.174 2.583 . . . . 0.0 112.848 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 tp -120.12 160.03 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.726 1.61 . . . . 0.0 111.73 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -145.41 156.91 44.05 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 127.345 2.258 . . . . 0.0 111.242 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -155.99 100.03 2.01 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.721 1.208 . . . . 0.0 111.189 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -60.18 -17.18 39.17 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -50.46 -32.85 19.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.053 1.741 . . . . 0.0 114.879 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -86.42 -25.08 25.44 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.749 0.704 . . . . 0.0 112.325 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -82.94 -17.75 42.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.285 1.434 . . . . 0.0 112.653 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.84 144.29 33.61 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -133.47 136.35 45.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.088 2.155 . . . . 0.0 109.398 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.66 143.71 57.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.74 140.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.216 1.806 . . . . 0.0 109.78 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.29 126.52 27.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.231 1.013 . . . . 0.0 112.092 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.41 -41.09 88.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.29 1.036 . . . . 0.0 111.544 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.54 -28.94 63.15 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.342 0.657 . . . . 0.0 111.582 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.84 -43.46 71.89 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.935 -1.103 . . . . 0.0 110.012 174.385 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.4 -38.99 89.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.219 1.008 . . . . 0.0 111.02 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -72.51 -18.02 61.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.46 1.504 . . . . 0.0 113.033 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.73 38.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.196 1.379 . . . . 0.0 113.976 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -123.4 -16.88 6.71 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.41 143.36 57.96 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.73 1.15 . . . . 0.0 111.559 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 p -140.12 59.7 1.56 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.728 1.211 . . . . 0.0 112.82 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -148.49 151.6 36.63 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.536 1.935 . . . . 0.0 110.379 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.22 155.97 51.38 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.186 1.924 . . . . 0.0 110.759 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.63 -32.31 41.13 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.347 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -23.75 67.34 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.419 2.288 . . . . 0.0 114.866 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.15 -19.61 7.69 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.04 162.91 28.61 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 122.063 0.935 . . . . 0.0 112.359 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.82 -14.95 59.86 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.913 1.685 . . . . 0.0 114.483 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -142.19 -179.82 6.47 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.189 2.195 . . . . 0.0 111.449 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 148.62 23.14 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -120.07 79.16 25.68 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 127.062 2.145 . . . . 0.0 110.7 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -67.13 165.15 27.48 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 124.036 3.157 . . . . 0.0 114.926 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -105.48 172.11 6.97 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.87 1.668 . . . . 0.0 111.061 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.7 -24.64 64.13 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.166 0.986 . . . . 0.0 112.821 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -89.41 -12.4 40.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.606 1.562 . . . . 0.0 114.365 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -73.5 142.67 46.75 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.63 1.104 . . . . 0.0 112.242 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -80.53 59.63 3.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.19 0.996 . . . . 0.0 111.443 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.09 138.01 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.477 1.511 . . . . 0.0 109.941 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.31 139.7 19.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.736 1.214 . . . . 0.0 112.188 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.9 t30 42.12 37.38 0.85 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 126.132 1.773 . . . . 0.0 115.453 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.06 77.11 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.932 -1.105 . . . . 0.0 115.277 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.21 162.09 30.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.89 2.076 . . . . 0.0 111.065 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.59 137.59 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.79 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.61 130.02 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.347 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.51 149.9 29.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.956 0.903 . . . . 0.0 112.645 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.31 100.48 4.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.727 1.611 . . . . 0.0 109.358 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.416 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 87.0 t80 -52.49 -42.78 64.56 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.904 1.282 . . . . 0.0 112.786 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.18 -32.83 74.32 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.705 -0.622 . . . . 0.0 111.798 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 t -71.94 -35.04 69.49 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.257 -0.902 . . . . 0.0 111.431 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.32 -32.97 69.0 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.121 -0.987 . . . . 0.0 111.645 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.416 ' HE2' ' CZ ' ' A' ' 54' ' ' PHE . 66.3 mttm -83.83 -0.36 50.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.718 1.607 . . . . 0.0 113.376 176.3 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.4 8.85 82.75 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.693 1.616 . . . . 0.0 116.038 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.84 89.08 1.51 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.23 1.515 . . . . 0.0 111.622 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.7 t -57.97 137.27 56.93 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 109.364 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -141.71 19.78 2.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -84.89 162.32 19.52 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 121.097 -1.002 . . . . 0.0 109.399 171.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.01 -41.25 91.27 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.296 -0.878 . . . . 0.0 110.918 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -161.93 100.35 1.12 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.161 2.585 . . . . 0.0 107.543 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.6 p -79.69 152.09 30.12 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 123.522 1.63 . . . . 0.0 113.69 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -118.78 27.75 8.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.704 2.802 . . . . 0.0 112.607 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -129.61 168.75 15.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.342 1.857 . . . . 0.0 113.181 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.77 135.14 34.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.524 1.13 . . . . 0.0 111.824 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -97.98 104.78 23.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.99 149.46 17.65 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.292 1.995 . . . . 0.0 113.415 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.69 161.25 46.65 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.173 2.582 . . . . 0.0 110.514 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.92 -42.18 9.07 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.449 3.432 . . . . 0.0 117.025 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -66.02 -47.39 74.59 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.385 0.993 . . . . 0.0 113.039 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 mt -71.28 -34.48 70.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.529 -0.732 . . . . 0.0 111.34 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -60.54 -43.32 97.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 110.526 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -63.51 -43.05 98.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.474 0.709 . . . . 0.0 110.84 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -61.99 -37.22 84.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.898 0.772 . . . . 0.0 111.073 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -48.81 74.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 110.37 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.13 -39.26 81.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.538 -0.727 . . . . 0.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.08 -46.01 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.594 0.757 . . . . 0.0 110.141 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -39.81 93.99 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.659 -0.65 . . . . 0.0 111.157 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.5 -56.52 16.86 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.513 1.054 . . . . 0.0 110.985 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -52.52 -45.16 66.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.569 1.148 . . . . 0.0 112.206 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.23 -42.45 98.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.947 0.499 . . . . 0.0 111.27 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -67.57 -30.45 70.07 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 118.039 -0.981 . . . . 0.0 113.612 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.85 -40.19 95.99 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.686 1.585 . . . . 0.0 109.757 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.82 -39.47 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.931 0.892 . . . . 0.0 110.276 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -77.27 46.78 0.52 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.546 1.938 . . . . 0.0 112.207 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -50.19 -21.74 1.44 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.236 2.615 . . . . 0.0 115.456 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -63.28 -26.15 68.64 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.253 1.421 . . . . 0.0 112.734 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 125.191 1.396 . . . . 0.0 112.103 178.905 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.223 0 C4'-C3'-C2' 99.971 -2.729 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 O4'-C1'-N19 112.705 4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 O4'-C1'-N19 111.062 2.862 . 0.664 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 O3'-P-O5' 99.68 -2.273 . 0.643 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 111.293 3.093 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 1 O4'-C1'-N19 114.588 6.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 112.06 3.86 . 0.501 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.906 3.706 . 0.026 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.332 0 O4'-C1'-N19 112.076 3.876 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C5'-C4'-O4' 113.611 3.151 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O3'-P-O5' 98.971 -2.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 2 C1'-O4'-C4' 104.837 -5.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 O4'-C1'-N19 112.619 4.419 . 0.013 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.342 0 O4'-C1'-N19 111.001 2.801 . 0.36 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 110.811 2.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.69 12.66 2.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.803 1.641 . . . . 0.0 113.582 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.41 163.51 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.26 1.824 . . . . 0.0 111.593 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 m -144.11 160.73 40.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.284 1.434 . . . . 0.0 111.861 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.23 159.58 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.447 1.099 . . . . 0.0 112.727 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -62.5 132.95 94.52 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 124.617 1.167 . . . . 0.0 111.488 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 158.3 8.8 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.889 3.059 . . . . 0.0 114.937 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.12 158.53 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.832 1.253 . . . . 0.0 113.348 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -146.36 -179.98 7.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 129.375 3.07 . . . . 0.0 109.716 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.23 99.93 2.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.324 0.966 . . . . 0.0 113.028 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -63.26 -18.78 63.94 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.118 -1.613 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.79 -35.51 76.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.183 0.993 . . . . 0.0 113.076 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -76.81 -17.16 59.19 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.888 0.767 . . . . 0.0 112.072 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.7 -17.0 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.54 1.536 . . . . 0.0 113.493 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.75 144.74 33.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.774 1.624 . . . . 0.0 113.559 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.63 144.78 51.66 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.251 1.82 . . . . 0.0 109.31 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -82.7 142.88 31.32 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.37 140.06 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.914 1.686 . . . . 0.0 110.103 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.37 128.45 37.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.006 0.922 . . . . 0.0 112.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.65 -33.44 71.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.513 1.125 . . . . 0.0 112.828 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.92 -30.88 40.12 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.565 0.746 . . . . 0.0 111.377 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.83 -39.19 90.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.709 -1.244 . . . . 0.0 110.507 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.01 -16.27 50.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.605 1.162 . . . . 0.0 113.367 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -111.52 0.08 16.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.719 2.008 . . . . 0.0 112.653 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.97 77.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.957 1.265 . . . . 0.0 114.744 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.5 p -104.2 -23.66 13.23 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.714 1.257 . . . . 0.0 114.03 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.56 130.83 43.52 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.458 1.027 . . . . 0.0 109.545 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -137.28 59.78 1.67 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.034 0.934 . . . . 0.0 112.568 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -151.62 155.46 34.12 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.825 2.45 . . . . 0.0 109.46 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.25 153.27 71.51 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.179 1.919 . . . . 0.0 111.163 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.09 -28.7 54.47 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.032 0.933 . . . . 0.0 113.409 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -65.5 -31.87 73.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.69 1.196 . . . . 0.0 112.423 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.54 -37.56 16.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.683 1.193 . . . . 0.0 111.359 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.05 170.07 12.14 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.658 1.183 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -95.5 -5.57 42.56 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.657 1.583 . . . . 0.0 114.401 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.51 -179.96 6.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.702 2.001 . . . . 0.0 111.277 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 147.06 23.99 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.366 -0.834 . . . . 0.0 112.992 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.08 77.67 24.28 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.391 1.876 . . . . 0.0 110.025 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -67.09 165.14 27.46 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.151 3.234 . . . . 0.0 114.298 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -105.4 167.84 9.48 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.872 1.669 . . . . 0.0 110.776 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -55.7 -25.98 42.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -82.08 -21.65 36.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.27 1.428 . . . . 0.0 113.486 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.5 m -69.08 141.51 54.72 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.454 -0.779 . . . . 0.0 110.374 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -82.2 58.06 3.85 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.149 0.975 . . . . 0.0 111.966 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.84 134.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.503 1.921 . . . . 0.0 110.201 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -150.13 129.75 13.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.409 1.084 . . . . 0.0 112.051 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 44.21 38.0 2.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.106 1.763 . . . . 0.0 115.381 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.1 11.14 81.63 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -134.95 166.4 23.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.257 1.823 . . . . 0.0 110.998 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.65 139.44 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -74.89 126.0 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 152.1 26.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.565 0.746 . . . . 0.0 112.541 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.3 t -71.0 110.47 5.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.917 1.287 . . . . 0.0 110.934 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.43 -40.28 86.24 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.901 1.28 . . . . 0.0 111.608 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.31 -42.99 92.45 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 111.182 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -66.58 -37.89 85.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.282 -0.886 . . . . 0.0 111.942 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -33.03 72.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.56 1.144 . . . . 0.0 112.16 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.54 3.34 37.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.797 1.239 . . . . 0.0 112.756 174.222 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 7.67 67.93 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.314 1.911 . . . . 0.0 117.408 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -153.16 89.26 1.35 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.836 1.818 . . . . 0.0 112.795 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.72 130.26 45.61 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 109.594 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 p -155.55 19.95 0.4 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -73.2 145.96 45.87 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.843 -1.16 . . . . 0.0 111.478 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -53.59 -39.62 65.02 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 113.386 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -148.27 91.39 1.9 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.861 1.665 . . . . 0.0 108.572 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.92 126.44 31.01 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.136 0.974 . . . . 0.0 111.737 -176.61 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.11 9.83 3.83 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.149 2.18 . . . . 0.0 113.877 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -89.93 170.21 10.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.549 1.939 . . . . 0.0 111.83 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.63 135.12 34.31 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.065 -1.022 . . . . 0.0 111.05 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -100.36 104.78 32.33 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -77.5 162.42 30.55 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.542 2.161 . . . . 0.0 113.558 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.54 158.24 56.51 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.953 2.435 . . . . 0.0 109.781 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.39 -41.93 17.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.148 3.232 . . . . 0.0 116.23 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -66.37 -42.22 88.29 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.403 -0.811 . . . . 0.0 113.001 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 45.5 mt -72.26 -35.81 68.87 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.917 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -58.62 -44.0 89.85 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.636 1.107 . . . . 0.0 110.143 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 m -62.99 -44.87 94.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.051 0.54 . . . . 0.0 111.06 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -62.08 -41.89 98.64 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.198 0.908 . . . . 0.0 111.005 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -48.21 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.672 1.189 . . . . 0.0 110.507 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.7 -33.22 75.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.465 -0.772 . . . . 0.0 112.77 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.26 -46.4 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.417 1.008 . . . . 0.0 109.621 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -59.42 -43.36 93.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.851 0.86 . . . . 0.0 110.288 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -51.37 57.41 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.698 1.142 . . . . 0.0 112.008 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -48.37 67.15 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.716 1.258 . . . . 0.0 112.835 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.07 -26.68 67.81 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.446 0.698 . . . . 0.0 112.668 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -79.96 -25.03 40.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.025 0.829 . . . . 0.0 112.391 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.47 -23.55 67.45 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.114 1.325 . . . . 0.0 112.198 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.1 -21.06 28.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.726 1.21 . . . . 0.0 110.824 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 49.95 54.8 10.43 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.504 1.922 . . . . 0.0 114.153 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -50.27 -31.7 14.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.364 1.865 . . . . 0.0 112.869 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -58.96 -26.77 64.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.049 2.14 . . . . 0.0 114.918 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 127.349 2.26 . . . . 0.0 113.966 -179.635 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.172 0 O4'-C1'-N19 110.432 2.232 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.015 0 O4'-C1'-N19 112.194 3.994 . 0.514 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.334 1 O4'-C1'-N19 113.243 5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 O4'-C1'-N19 111.137 2.937 . 0.207 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C4'-C3'-C2' 99.18 -3.52 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O3'-P-O5' 98.201 -3.052 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O3'-P-O5' 97.699 -3.316 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 O4'-C1'-N19 111.811 3.611 . 0.035 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 2 O4'-C1'-N19 114.99 6.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 110.364 2.164 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C5'-C4'-O4' 112.886 2.633 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.122 2.922 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.945 3.745 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.709 1 O4'-C1'-N19 112.763 4.563 . 0.092 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C4'-C3' 108.875 2.411 . 0.256 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 mtt . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.0 -12.91 61.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.73 175.82 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.779 1.632 . . . . 0.0 111.917 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -59.53 -9.25 2.38 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.763 2.135 . . . . 0.0 116.763 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 m -138.83 161.03 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 126.69 1.996 . . . . 0.0 110.514 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -62.51 115.58 17.48 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 123.753 0.821 . . . . 0.0 111.322 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.41 178.16 6.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.553 2.835 . . . . 0.0 111.893 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.01 157.86 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -140.08 147.95 41.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.268 1.827 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -159.62 99.96 1.45 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.809 1.244 . . . . 0.0 111.249 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -56.04 -13.77 2.16 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.93 -30.8 66.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.658 1.183 . . . . 0.0 112.961 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -82.64 -26.51 32.12 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.646 . . . . 0.0 112.028 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -83.69 -14.84 50.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.949 1.3 . . . . 0.0 112.589 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 149.02 31.12 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.471 1.487 . . . . 0.0 114.11 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -132.52 139.77 48.04 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.548 2.339 . . . . 0.0 108.561 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -71.51 148.04 47.14 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.956 0.884 . . . . 0.0 113.36 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -98.45 140.0 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.255 1.822 . . . . 0.0 110.178 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.32 133.17 55.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.662 0.785 . . . . 0.0 112.105 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -66.96 -42.62 84.87 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.322 -0.861 . . . . 0.0 111.897 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.19 -30.36 70.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.471 0.708 . . . . 0.0 111.758 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.64 -40.39 92.45 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.25 -31.98 72.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.124 0.97 . . . . 0.0 111.711 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -79.67 -14.64 58.64 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 0.0 112.753 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.18 43.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.157 1.36 . . . . 0.0 113.618 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -122.15 -13.9 8.06 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.37 147.04 53.89 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 119.865 1.211 . . . . 0.0 111.422 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -140.09 59.8 1.56 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.467 1.107 . . . . 0.0 113.87 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -153.11 151.64 26.44 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 126.492 1.917 . . . . 0.0 111.086 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.75 157.07 52.55 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.895 1.73 . . . . 0.0 108.601 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.04 -28.13 36.56 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.074 -1.017 . . . . 0.0 113.442 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -64.66 -26.95 68.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.948 1.699 . . . . 0.0 113.389 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -113.68 -16.41 12.32 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.563 1.145 . . . . 0.0 113.933 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.5 t -79.79 170.09 17.01 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -82.12 -15.71 52.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.261 1.424 . . . . 0.0 113.729 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -139.61 -179.72 6.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.637 1.975 . . . . 0.0 112.075 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.6 148.38 23.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.438 -0.789 . . . . 0.0 112.733 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -120.28 81.21 29.46 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.584 1.954 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.26 165.03 30.09 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 124.238 3.292 . . . . 0.0 114.991 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.3 m -105.38 166.86 10.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.949 1.7 . . . . 0.0 110.02 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -55.61 -30.49 60.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.448 1.099 . . . . 0.0 113.672 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.1 m -78.41 -13.98 59.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.722 1.609 . . . . 0.0 114.568 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -77.78 149.02 34.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.565 1.075 . . . . 0.0 112.266 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -79.05 61.75 3.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.103 0.961 . . . . 0.0 111.889 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.09 130.16 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.65 1.18 . . . . 0.0 109.438 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -150.79 136.19 17.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.327 1.451 . . . . 0.0 111.38 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.2 33.16 3.48 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.798 1.639 . . . . 0.0 114.959 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.256 -0.903 . . . . 0.0 113.672 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 mtm-85 -139.01 170.12 16.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.702 2.401 . . . . 0.0 111.153 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.41 138.14 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -72.52 125.28 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.14 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.86 151.9 38.96 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.574 -0.704 . . . . 0.0 112.494 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.04 101.8 7.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.703 1.601 . . . . 0.0 110.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -36.95 74.16 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.995 -1.066 . . . . 0.0 110.346 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -40.0 69.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.654 1.582 . . . . 0.0 110.823 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t -76.04 -41.82 49.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.281 1.432 . . . . 0.0 112.937 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.87 -33.13 68.37 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.86 1.209 . . . . 0.0 111.708 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -81.15 -5.02 57.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.965 1.306 . . . . 0.0 113.288 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.8 25.98 59.38 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 117.226 1.65 . . . . 0.0 117.226 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.43 26.75 1.04 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 t -44.7 121.84 2.89 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 113.001 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -146.31 20.12 1.38 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.31 139.47 58.16 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.753 -1.217 . . . . 0.0 112.711 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.56 -26.43 67.12 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.433 1.093 . . . . 0.0 113.699 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -144.1 77.93 1.56 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.554 1.942 . . . . 0.0 108.573 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.64 119.78 23.07 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 122.096 0.95 . . . . 0.0 109.376 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -129.07 14.13 6.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.467 2.307 . . . . 0.0 114.365 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -112.46 166.75 11.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.607 1.563 . . . . 0.0 111.42 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.76 135.1 34.27 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.943 -1.098 . . . . 0.0 111.963 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -95.52 104.93 17.48 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.04 141.97 15.16 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.488 2.126 . . . . 0.0 115.082 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.21 163.85 35.58 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 123.837 3.025 . . . . 0.0 109.935 171.536 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -42.92 -42.82 9.25 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.681 3.587 . . . . 0.0 117.433 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -66.3 -37.6 85.79 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.077 -1.014 . . . . 0.0 112.704 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.36 -28.18 41.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.499 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -39.48 79.94 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.32 1.418 . . . . 0.0 110.141 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -65.83 -44.43 85.59 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.104 0.561 . . . . 0.0 110.602 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -60.42 -43.46 96.73 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 111.12 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.11 -47.28 85.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.644 1.578 . . . . 0.0 110.012 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.09 -45.75 93.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.38 0.672 . . . . 0.0 111.577 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.14 -46.81 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.94 0.896 . . . . 0.0 110.654 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -59.89 -44.25 94.33 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.956 0.902 . . . . 0.0 110.681 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.49 -53.4 44.33 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.685 1.136 . . . . 0.0 112.771 176.645 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -60.83 -43.53 98.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.566 1.183 . . . . 0.0 112.085 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.16 -41.89 80.06 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.196 0.907 . . . . 0.0 111.667 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -66.79 -33.23 75.17 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.704 0.802 . . . . 0.0 112.724 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 78.5 mt -70.1 -38.84 75.74 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.333 0.969 . . . . 0.0 111.223 174.511 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.4 mt -72.63 -32.46 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.908 1.283 . . . . 0.0 111.794 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 59.07 46.89 12.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.804 1.641 . . . . 0.0 111.842 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -53.73 -25.72 19.97 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -72.02 -18.7 61.94 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.575 1.55 . . . . 0.0 113.912 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 CA--C 1.545 0.777 0 C-N-CA 125.855 1.662 . . . . 0.0 112.641 -178.767 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 2 O4'-C1'-N19 112.965 4.765 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.625 0 P-O3'-C3' 122.702 2.502 . 0.01 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 O4'-C1'-C2' 101.055 -3.818 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 1 O4'-C1'-N19 112.905 4.705 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 1 O4'-C1'-N19 113.283 5.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 1 O4'-C1'-N19 112.895 4.695 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 110.997 2.797 . 0.178 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 1 C3'-C2'-C1' 106.056 5.062 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 2 O4'-C1'-N19 114.344 6.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C1'-O4'-C4' 106.16 -3.823 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C1'-O4'-C4' 106.284 -3.684 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O3'-P-O5' 99.325 -2.46 . 0.312 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 O3'-P-O5' 98.406 -2.944 . 0.391 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 2 O4'-C1'-N19 115.757 7.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 1 O4'-C1'-N19 113.156 4.956 . 0.048 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.62 162.74 39.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.983 1.713 . . . . 0.0 111.803 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -153.32 161.05 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.441 1.496 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -64.44 -3.58 3.13 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.01 149.31 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.051 1.34 . . . . 0.0 111.39 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 m -62.37 135.99 95.53 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.191 1.396 . . . . 0.0 111.87 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -57.5 170.07 2.0 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.486 2.791 . . . . 0.0 114.73 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 pt -79.83 160.1 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.11 1.364 . . . . 0.0 112.216 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -127.6 132.45 49.79 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.135 1.374 . . . . 0.0 110.315 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.57 108.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.245 1.418 . . . . 0.0 111.047 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -54.45 -17.15 2.81 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.39 -28.85 69.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.54 1.136 . . . . 0.0 112.605 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -85.57 -25.61 26.62 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.925 0.784 . . . . 0.0 112.043 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.81 -18.73 39.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.702 1.201 . . . . 0.0 113.247 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.97 152.21 29.63 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.227 1.376 . . . . 0.0 114.238 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.01 151.66 51.01 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.587 1.955 . . . . 0.0 109.134 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -93.22 139.54 30.5 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.346 1.058 . . . . 0.0 113.241 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -82.93 140.05 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.797 1.639 . . . . 0.0 110.324 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.0 t -58.63 132.91 55.22 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.166 0.986 . . . . 0.0 111.819 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -65.77 -43.62 88.26 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.14 -0.975 . . . . 0.0 111.351 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.87 -25.57 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.338 0.655 . . . . 0.0 112.028 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -70.69 -44.57 66.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.698 -1.251 . . . . 0.0 110.369 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.37 -36.87 85.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.25 -19.42 63.13 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.758 2.023 . . . . 0.0 112.919 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 31.46 39.17 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.297 1.427 . . . . 0.0 114.112 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 p -128.93 -14.19 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -61.09 140.31 57.9 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.048 1.295 . . . . 0.0 111.399 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -137.52 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 111.774 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -147.84 147.43 27.02 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 126.922 2.089 . . . . 0.0 109.897 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.25 152.37 55.69 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 122.039 1.826 . . . . 0.0 110.198 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -52.27 -32.77 38.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.473 1.109 . . . . 0.0 112.866 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -67.41 -19.92 65.45 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.17 2.188 . . . . 0.0 114.359 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -119.96 -25.11 5.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.658 1.183 . . . . 0.0 113.493 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.64 151.96 46.01 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.495 0.664 . . . . 0.0 111.692 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -69.12 -12.61 61.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.458 1.503 . . . . 0.0 114.62 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -138.59 -179.95 6.11 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.213 1.805 . . . . 0.0 111.988 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.21 24.63 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.622 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -120.09 72.25 17.7 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 126.989 2.116 . . . . 0.0 110.437 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.07 165.07 31.46 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.861 3.041 . . . . 0.0 113.363 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -105.45 176.99 4.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.626 1.17 . . . . 0.0 111.918 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.1 -25.44 63.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.333 1.453 . . . . 0.0 113.967 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m -79.34 -18.46 52.44 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.528 1.531 . . . . 0.0 113.718 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.6 m -79.25 148.99 31.99 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.998 0.817 . . . . 0.0 111.698 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 46.87 0.43 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.829 1.252 . . . . 0.0 113.207 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.42 128.11 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.036 1.334 . . . . 0.0 111.295 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -150.13 132.95 15.99 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 111.283 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.9 t30 45.33 37.92 3.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.903 1.681 . . . . 0.0 115.04 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.45 13.77 83.19 Favored Glycine 0 CA--C 1.537 1.425 0 O-C-N 121.149 -0.97 . . . . 0.0 115.206 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -129.7 160.35 33.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.287 1.835 . . . . 0.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.23 138.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -79.19 129.15 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.37 152.03 30.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.611 0.764 . . . . 0.0 112.438 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.8 106.12 6.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.087 1.355 . . . . 0.0 110.48 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.71 -40.6 84.18 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.374 -0.829 . . . . 0.0 110.808 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.38 -44.5 95.56 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.738 -0.601 . . . . 0.0 111.192 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -66.59 -40.36 88.86 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.13 -0.981 . . . . 0.0 111.827 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.05 -33.11 72.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.196 0.998 . . . . 0.0 111.515 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -75.95 -5.7 47.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.527 1.531 . . . . 0.0 112.409 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.04 10.02 64.99 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.957 2.217 . . . . 0.0 115.918 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -155.65 92.52 1.39 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.041 1.421 . . . . 0.0 112.294 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -52.95 143.77 16.35 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.571 1.149 . . . . 0.0 110.237 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -134.37 38.44 3.11 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -130.16 140.23 50.79 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.097 1.359 . . . . 0.0 112.473 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.6 -26.08 59.68 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.957 0.903 . . . . 0.0 111.146 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -144.23 83.89 1.75 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.289 2.236 . . . . 0.0 108.489 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 t -79.76 147.1 31.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.705 1.202 . . . . 0.0 111.203 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -131.71 -3.79 3.69 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.936 1.695 . . . . 0.0 115.332 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -89.95 168.9 11.66 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.497 1.119 . . . . 0.0 110.478 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 tp -84.68 135.11 34.29 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.128 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -101.19 104.8 35.32 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 147.98 13.37 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.461 2.107 . . . . 0.0 113.962 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.02 161.42 44.83 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 109.86 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.0 -40.87 8.9 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.492 3.462 . . . . 0.0 116.699 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -67.49 -46.81 71.84 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.118 1.326 . . . . 0.0 113.124 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.34 -34.0 70.12 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.318 -0.864 . . . . 0.0 110.894 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -61.55 -38.25 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.299 1.44 . . . . 0.0 111.033 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -66.89 -41.75 86.67 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.528 0.731 . . . . 0.0 110.342 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.12 -40.82 97.2 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.477 -0.764 . . . . 0.0 110.477 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -48.67 80.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.569 1.548 . . . . 0.0 110.293 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -57.32 -45.89 83.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.414 1.086 . . . . 0.0 111.745 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.56 -45.24 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.911 0.884 . . . . 0.0 110.754 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -65.11 -32.77 74.64 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.637 -0.664 . . . . 0.0 112.523 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -79.73 -51.86 4.96 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.048 0.832 . . . . 0.0 114.125 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -65.13 -34.13 77.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.136 1.468 . . . . 0.0 114.608 -176.158 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.23 -30.38 67.43 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.498 -0.751 . . . . 0.0 111.022 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.45 -42.69 92.09 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 117.073 -1.441 . . . . 0.0 112.86 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.319 1.9 pt? -75.67 -23.78 56.27 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.344 1.884 . . . . 0.0 112.946 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.8 -23.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.376 1.071 . . . . 0.0 110.476 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.44 41.87 30.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.084 1.754 . . . . 0.0 112.693 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -50.34 -23.71 2.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.25 -26.56 68.45 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.977 1.311 . . . . 0.0 112.834 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 127.113 2.165 . . . . 0.0 114.129 179.165 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.466 0 C4'-C3'-C2' 100.291 -2.409 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.343 3.143 . 0.595 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O3'-P-O5' 99.456 -2.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 O4'-C1'-N19 110.957 2.757 . 0.042 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 O4'-C1'-N19 111.697 3.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.834 1 O4'-C1'-N19 113.548 5.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.9 -2.8 . 0.206 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 2 O4'-C1'-N19 113.121 4.921 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 P-O3'-C3' 123.845 3.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 113.158 4.958 . 0.887 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 P-O3'-C3' 124.401 3.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.937 2.737 . 0.654 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 110.065 1.865 . 0.262 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.393 3.193 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 O4'-C1'-N19 112.623 4.423 . 0.064 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.8 159.09 26.05 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.97 1.308 . . . . 0.0 113.085 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -140.4 147.66 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.778 1.631 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -65.11 -11.82 44.17 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.61 159.43 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.683 1.993 . . . . 0.0 109.999 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -62.4 126.72 88.65 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.633 1.173 . . . . 0.0 111.097 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -52.76 -33.21 59.13 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 124.301 3.334 . . . . 0.0 115.825 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.02 160.06 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 127.36 2.264 . . . . 0.0 110.982 178.697 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -38.12 103.03 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.565 1.946 . . . . 0.0 113.826 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.73 99.98 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.992 2.517 . . . . 0.0 117.005 -171.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.23 -17.45 53.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.849 -1.782 . . . . 0.0 114.009 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -27.64 68.4 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.941 -1.099 . . . . 0.0 113.853 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.4 -10.94 59.77 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.578 0.626 . . . . 0.0 111.761 173.156 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.98 -14.16 14.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.297 1.839 . . . . 0.0 113.462 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -79.9 150.9 30.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.471 1.487 . . . . 0.0 113.879 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -133.93 141.81 47.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.615 1.966 . . . . 0.0 109.722 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -74.51 139.1 43.59 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.093 1.357 . . . . 0.0 114.053 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -84.96 140.06 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.642 1.977 . . . . 0.0 110.543 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.88 131.96 51.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.774 1.273 . . . . 0.0 112.536 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.7 -35.62 77.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.272 1.429 . . . . 0.0 111.413 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.78 -29.49 50.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.25 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -65.97 -43.14 88.74 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.815 -1.178 . . . . 0.0 110.17 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.52 -33.9 76.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.183 0.993 . . . . 0.0 111.61 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -73.3 -17.36 61.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.066 1.347 . . . . 0.0 112.336 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.17 28.18 50.11 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.199 1.381 . . . . 0.0 113.336 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -118.2 -21.61 8.1 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.31 134.46 46.78 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.871 1.214 . . . . 0.0 110.667 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 p -140.12 59.79 1.56 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.714 1.205 . . . . 0.0 112.957 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -148.91 155.36 40.69 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 126.005 1.722 . . . . 0.0 111.679 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.15 158.55 57.32 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.478 2.119 . . . . 0.0 109.986 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.81 -32.44 44.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 113.599 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -67.52 -30.35 69.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.061 1.344 . . . . 0.0 114.343 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -93.56 0.02 56.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.233 1.413 . . . . 0.0 112.223 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -116.67 170.15 8.81 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.463 1.905 . . . . 0.0 111.934 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -99.67 -5.19 29.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.59 1.556 . . . . 0.0 114.81 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.53 -179.89 6.42 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.38 1.872 . . . . 0.0 111.716 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.8 148.15 23.38 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -120.2 71.64 17.31 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 127.403 2.281 . . . . 0.0 112.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -73.67 165.15 33.05 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.669 3.579 . . . . 0.0 114.784 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -96.3 169.69 9.76 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.148 1.379 . . . . 0.0 111.132 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.14 -20.55 58.93 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -91.63 -12.13 35.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 114.052 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -72.92 163.28 28.38 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.43 46.3 0.19 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.375 1.87 . . . . 0.0 112.72 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.37 123.68 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.44 139.84 17.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.151 1.38 . . . . 0.0 111.608 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 44.75 35.64 1.53 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.855 1.662 . . . . 0.0 115.258 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 14.28 82.3 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.022 -1.049 . . . . 0.0 115.11 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.53 166.44 21.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.995 2.118 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.61 139.03 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.83 125.19 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.21 151.15 22.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.538 0.735 . . . . 0.0 112.363 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.2 t -69.86 110.39 4.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.401 ' CE2' ' HE3' ' A' ' 58' ' ' LYS . 2.7 t80 -51.96 -47.25 64.88 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.641 1.577 . . . . 0.0 110.803 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -63.01 -40.8 98.84 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -69.52 -39.12 77.71 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.918 -1.114 . . . . 0.0 112.037 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.94 -26.17 61.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.219 1.408 . . . . 0.0 112.608 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . 0.401 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -97.45 2.03 49.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 112.893 176.151 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.23 66.03 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.325 1.917 . . . . 0.0 117.694 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -154.33 92.5 1.51 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.497 1.648 . . . . 0.0 112.048 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -53.8 147.88 11.11 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.462 1.505 . . . . 0.0 111.727 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -124.62 19.94 8.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -130.2 149.27 51.98 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.864 1.266 . . . . 0.0 110.36 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.91 -31.24 72.38 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.596 -0.69 . . . . 0.0 110.867 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -159.59 131.42 6.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.418 2.687 . . . . 0.0 107.512 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.87 151.99 49.84 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.281 1.433 . . . . 0.0 113.213 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -81.95 -5.57 58.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.454 1.902 . . . . 0.0 115.343 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -90.15 169.71 10.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.775 1.23 . . . . 0.0 114.138 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.73 135.22 34.23 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.253 1.421 . . . . 0.0 110.745 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.2 104.77 31.67 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -83.1 159.02 15.45 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.847 2.365 . . . . 0.0 114.47 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -70.79 158.12 56.49 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.751 2.968 . . . . 0.0 110.71 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -44.61 -42.25 14.5 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 124.494 3.463 . . . . 0.0 116.624 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -66.37 -49.13 67.92 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.036 0.835 . . . . 0.0 112.775 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.91 -35.67 78.87 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.545 -0.722 . . . . 0.0 111.486 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -58.66 -46.22 87.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.482 1.113 . . . . 0.0 110.483 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.9 m -64.08 -44.48 92.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.276 0.63 . . . . 0.0 111.209 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -61.37 -38.28 86.44 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.036 0.835 . . . . 0.0 111.552 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.42 -47.3 79.65 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.023 0.929 . . . . 0.0 110.538 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.15 -39.85 87.8 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.33 -43.69 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.003 0.921 . . . . 0.0 110.312 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.34 -39.09 93.59 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.452 -0.78 . . . . 0.0 111.445 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.68 -50.37 68.34 Favored Glycine 0 CA--C 1.532 1.148 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.14 -42.98 91.98 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.707 0.803 . . . . 0.0 112.214 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -58.52 -36.02 73.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.878 0.763 . . . . 0.0 112.673 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -69.94 -41.49 74.49 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.824 -0.548 . . . . 0.0 110.933 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 92.9 mt -66.11 -32.5 73.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.554 0.742 . . . . 0.0 112.246 176.148 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.06 -14.75 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 126.056 1.742 . . . . 0.0 111.063 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 63.97 37.88 9.08 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.799 2.039 . . . . 0.0 114.02 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -50.55 -30.31 12.79 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -59.63 -30.25 68.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.506 1.523 . . . . 0.0 113.542 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 124.549 1.14 . . . . 0.0 112.025 179.613 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.46 0 O4'-C1'-N19 110.647 2.447 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 O4'-C1'-N19 111.434 3.234 . 0.04 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 110.904 2.704 . 0.148 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.494 4.294 . 0.043 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 O4'-C1'-N19 113.93 5.73 . 0.011 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C1'-O4'-C4' 106.749 -3.168 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O3'-P-O5' 99.517 -2.36 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 2 C3'-C2'-C1' 106.277 5.308 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.428 2 O4'-C1'-N19 115.67 7.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.454 1 O4'-C1'-N19 113.594 5.394 . 0.436 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 3 O4'-C1'-N19 117.796 9.596 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.639 4.439 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.139 2.939 . 0.025 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 111.644 3.444 . 0.102 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 110.967 2.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.84 173.42 16.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.867 1.667 . . . . 0.0 111.84 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.27 148.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.807 1.643 . . . . 0.0 110.754 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -63.0 -17.6 62.36 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 m -142.3 160.89 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.036 1.734 . . . . 0.0 111.183 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 m -62.42 133.75 94.69 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 123.905 0.882 . . . . 0.0 110.685 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.52 160.9 43.65 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.909 2.406 . . . . 0.0 113.022 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.95 159.65 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.242 1.017 . . . . 0.0 112.605 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -75.74 147.14 39.54 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.816 1.246 . . . . 0.0 111.337 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.52 99.95 1.92 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.674 1.19 . . . . 0.0 111.512 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -53.47 -21.36 6.07 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -62.49 -28.39 69.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.527 1.131 . . . . 0.0 113.654 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -82.36 -13.73 56.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.476 0.58 . . . . 0.0 112.111 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.81 -14.8 15.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 113.532 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 p -79.84 150.25 30.73 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -134.69 138.29 44.29 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.942 2.097 . . . . 0.0 108.622 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.76 148.62 36.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.95 140.01 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 126.55 1.94 . . . . 0.0 110.319 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.77 134.52 56.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.282 1.033 . . . . 0.0 112.215 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.03 -42.09 81.15 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.227 -0.92 . . . . 0.0 111.404 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.75 -30.01 69.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.09 0.556 . . . . 0.0 111.203 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -67.52 -44.39 78.49 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.759 -1.213 . . . . 0.0 110.669 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.24 -35.35 80.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.998 0.919 . . . . 0.0 111.516 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -76.59 -13.14 60.09 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.369 1.468 . . . . 0.0 113.402 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.26 55.68 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.863 1.22 . . . . 0.0 113.974 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -122.4 -18.16 6.83 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.29 133.85 55.69 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.02 1.282 . . . . 0.0 110.299 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -135.81 59.88 1.7 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.306 1.043 . . . . 0.0 113.222 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -158.99 155.86 25.34 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 126.749 2.019 . . . . 0.0 110.435 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.58 156.48 65.4 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.272 1.982 . . . . 0.0 112.888 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.02 -32.58 34.8 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.834 1.654 . . . . 0.0 113.379 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -70.49 -30.33 67.08 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.264 1.425 . . . . 0.0 113.275 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.3 -31.71 16.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.058 0.943 . . . . 0.0 112.483 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.86 156.92 38.33 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.263 1.03 . . . . 0.0 113.361 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -77.33 -11.51 59.84 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.013 1.725 . . . . 0.0 113.886 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -139.22 -179.91 6.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.388 1.875 . . . . 0.0 111.763 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 147.19 23.92 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -120.09 71.89 17.16 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 127.376 2.27 . . . . 0.0 110.615 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.96 165.14 33.61 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.525 3.484 . . . . 0.0 114.613 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 m -98.27 162.78 13.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.495 1.518 . . . . 0.0 110.037 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -55.72 -24.11 32.86 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -83.28 -14.96 51.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.315 1.446 . . . . 0.0 114.178 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.79 165.36 25.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.103 0.865 . . . . 0.0 112.537 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.81 44.28 0.22 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.55 1.54 . . . . 0.0 112.923 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -67.21 125.36 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.247 . . . . 0.0 110.052 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -150.94 129.96 12.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.613 1.165 . . . . 0.0 111.241 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 39.95 34.57 0.19 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.2 10.09 57.53 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -139.31 168.1 20.59 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.635 1.718 . . . . 0.0 112.539 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.42 142.6 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.731 1.212 . . . . 0.0 107.988 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.3 mt -77.81 125.77 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.73 152.0 24.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.805 0.842 . . . . 0.0 112.636 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.3 t -70.42 112.9 7.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.287 1.435 . . . . 0.0 111.135 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.22 -38.84 66.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.112 1.765 . . . . 0.0 111.018 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.32 -32.38 62.82 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.714 -0.616 . . . . 0.0 112.601 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -68.94 -38.77 79.69 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.862 -1.149 . . . . 0.0 110.375 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -23.12 48.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.456 1.903 . . . . 0.0 111.947 173.908 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -104.99 2.83 30.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.701 2.001 . . . . 0.0 113.678 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.56 7.75 75.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 118.28 2.072 . . . . 0.0 118.28 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -154.81 90.0 1.27 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.957 1.879 . . . . 0.0 112.368 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.1 t -51.17 134.03 27.52 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.931 1.292 . . . . 0.0 110.801 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m -136.42 19.9 3.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.14 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 149.75 40.88 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.033 -1.042 . . . . 0.0 111.578 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.976 0.893 . . . . 0.0 110.503 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -153.45 109.57 3.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.881 2.873 . . . . 0.0 105.029 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.1 t -79.79 144.09 33.86 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.893 0.854 . . . . 0.0 112.451 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -134.1 -6.76 2.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.288 2.235 . . . . 0.0 114.083 -172.287 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -96.59 170.13 9.41 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.599 1.96 . . . . 0.0 112.583 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.53 135.1 34.36 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.766 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -99.23 104.85 28.89 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.86 158.58 15.93 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.665 2.243 . . . . 0.0 113.96 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.88 160.73 45.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.479 2.786 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -43.73 -41.14 11.44 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.531 3.487 . . . . 0.0 116.508 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -67.5 -49.71 62.21 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.186 0.903 . . . . 0.0 113.022 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -35.56 77.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.085 0.857 . . . . 0.0 111.344 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.55 -47.04 83.11 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.042 1.337 . . . . 0.0 110.392 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -63.61 -43.16 97.69 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.259 0.623 . . . . 0.0 111.06 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -62.53 -35.87 80.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.914 0.779 . . . . 0.0 111.659 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.41 -48.6 77.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.17 0.988 . . . . 0.0 110.211 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.16 -40.33 89.52 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.714 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.72 -48.91 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.503 0.721 . . . . 0.0 110.001 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -59.36 -43.57 92.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.22 -55.88 27.99 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.791 0.71 . . . . 0.0 112.05 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -65.24 -39.97 93.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.38 -43.06 74.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 110.897 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.43 -24.84 68.01 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 62.3 mt -82.05 -41.26 20.86 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.203 0.91 . . . . 0.0 111.463 176.146 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.97 -39.46 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.841 1.256 . . . . 0.0 111.41 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 130.69 133.29 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 1 C-N-CA 132.834 4.454 . . . . 0.0 106.269 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -50.0 -31.87 13.81 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.06 -20.36 64.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.416 1.486 . . . . 0.0 114.016 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 111.343 -178.654 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.288 1 O4'-C1'-N19 115.171 6.971 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 1 O4'-C1'-N19 115.081 6.881 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 110.287 2.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 110.652 2.452 . 0.674 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 O4'-C1'-C2' 101.544 -3.468 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 0 O3'-P-O5' 98.671 -2.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 P-O3'-C3' 121.945 1.871 . 0.265 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.567 -3.133 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.251 2 O4'-C1'-N19 115.376 7.176 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.914 -2.786 . 0.521 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.154 2.954 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.364 4.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 110.812 2.612 . 0.092 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 O4'-C1'-N19 110.74 2.54 . 0.392 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O3'-P-O5' 98.898 -2.685 . 0.503 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 CA--C 1.544 0.75 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.74 165.28 31.88 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.37 1.468 . . . . 0.0 111.749 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -140.88 163.64 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.918 1.687 . . . . 0.0 111.616 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.4 m -140.84 159.38 42.34 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.42 1.488 . . . . 0.0 111.756 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 p -151.98 157.45 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.487 1.515 . . . . 0.0 110.925 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -62.43 126.25 87.64 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 124.868 1.267 . . . . 0.0 111.006 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.02 165.54 29.6 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.413 2.742 . . . . 0.0 112.906 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -86.19 159.47 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.224 1.01 . . . . 0.0 111.335 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -140.97 177.66 7.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.796 1.638 . . . . 0.0 110.564 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.59 99.8 0.05 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 p -68.77 -15.17 63.43 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 119.914 -1.741 . . . . 0.0 113.476 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.52 -30.45 70.64 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.501 1.121 . . . . 0.0 113.372 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.95 -21.91 43.25 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.726 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.9 mt -91.09 -18.14 25.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.414 1.485 . . . . 0.0 113.343 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -79.81 149.2 31.12 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.606 1.548 . . . . 0.0 114.801 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -134.03 142.86 47.76 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.994 2.118 . . . . 0.0 109.441 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.83 141.74 40.54 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.513 1.125 . . . . 0.0 113.859 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.41 140.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.387 1.875 . . . . 0.0 109.971 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.86 133.42 56.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.064 0.945 . . . . 0.0 112.399 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -64.4 -43.71 93.58 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.95 0.9 . . . . 0.0 111.413 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.38 -31.66 70.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.695 0.798 . . . . 0.0 111.705 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.65 -42.9 95.12 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.874 -1.141 . . . . 0.0 110.882 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.3 -16.17 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.906 1.282 . . . . 0.0 113.267 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -109.2 0.09 19.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.516 1.926 . . . . 0.0 112.962 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 28.72 72.22 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.804 1.193 . . . . 0.0 114.563 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -117.93 -11.96 10.2 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.44 146.1 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.771 1.169 . . . . 0.0 111.089 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.12 59.74 1.56 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.243 1.017 . . . . 0.0 112.413 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -151.48 148.35 22.01 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.788 2.035 . . . . 0.0 110.309 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -72.22 157.34 53.98 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.219 1.946 . . . . 0.0 110.116 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.77 -32.73 32.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 112.318 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -65.54 -23.38 66.85 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.372 2.269 . . . . 0.0 114.828 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -117.47 -25.36 7.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.369 1.067 . . . . 0.0 113.349 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.58 153.78 42.95 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.773 0.797 . . . . 0.0 112.082 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -74.87 -7.54 53.8 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 114.566 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -139.19 -179.94 6.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.527 1.931 . . . . 0.0 111.531 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 144.83 25.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -120.2 70.92 16.2 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.991 2.117 . . . . 0.0 111.413 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.69 165.22 32.85 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.237 3.291 . . . . 0.0 114.537 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -98.95 161.39 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.448 1.499 . . . . 0.0 109.484 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -55.64 -26.06 42.35 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -79.16 -15.97 57.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.475 1.51 . . . . 0.0 114.328 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -76.78 163.28 26.95 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.326 0.966 . . . . 0.0 112.801 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -74.37 51.16 0.43 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.008 1.723 . . . . 0.0 112.746 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 t -74.53 128.52 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.971 1.308 . . . . 0.0 109.605 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -153.12 135.63 15.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.979 1.312 . . . . 0.0 111.201 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.2 t30 44.9 37.75 2.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.767 1.627 . . . . 0.0 114.999 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.32 14.0 82.09 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 115.261 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.26 166.83 20.32 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.727 2.011 . . . . 0.0 110.608 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.54 139.41 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.657 1.183 . . . . 0.0 108.097 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.8 mt -75.39 127.65 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 152.11 25.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.06 0.944 . . . . 0.0 112.496 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.35 109.26 4.63 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.925 1.29 . . . . 0.0 110.888 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.73 -42.45 93.16 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.834 0.854 . . . . 0.0 110.682 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.64 -42.63 97.35 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.701 -0.624 . . . . 0.0 111.539 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -66.24 -40.51 90.3 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.231 -0.918 . . . . 0.0 111.716 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.74 -32.99 72.25 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.221 1.008 . . . . 0.0 112.177 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.59 1.86 40.1 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.929 1.291 . . . . 0.0 112.642 174.459 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 8.6 66.66 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 126.539 2.019 . . . . 0.0 117.819 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -154.24 92.74 1.54 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.616 1.708 . . . . 0.0 112.081 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.17 136.47 42.46 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.265 1.026 . . . . 0.0 109.241 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m -137.38 34.28 2.51 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -173.538 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -123.36 139.23 54.24 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.896 1.278 . . . . 0.0 111.706 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.67 -31.39 52.5 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.68 1.192 . . . . 0.0 112.105 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.29 76.11 1.68 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.861 2.065 . . . . 0.0 108.064 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 t -79.74 112.01 16.6 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 122.346 1.07 . . . . 0.0 110.132 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -100.34 6.23 44.52 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.212 2.205 . . . . 0.0 114.509 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -104.58 168.92 8.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.304 1.442 . . . . 0.0 112.529 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -84.81 135.21 34.2 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.053 0.941 . . . . 0.0 111.143 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -103.53 104.61 42.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.55 159.14 7.91 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.1 2.533 . . . . 0.0 112.95 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.63 160.28 44.33 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.429 2.753 . . . . 0.0 111.967 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.43 -43.79 17.17 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.293 3.329 . . . . 0.0 115.849 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -61.74 -31.64 71.83 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.2 mt -86.01 -31.44 22.01 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.997 0.919 . . . . 0.0 111.389 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -57.41 -40.34 78.08 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.407 1.003 . . . . 0.0 110.713 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -59.93 -41.59 92.11 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.222 0.464 . . . . 0.0 111.809 175.664 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -66.41 -38.91 88.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.305 -0.872 . . . . 0.0 110.825 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.49 89.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 110.142 176.058 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.72 -39.36 93.8 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.668 -0.645 . . . . 0.0 111.89 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.69 -47.18 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.407 -0.808 . . . . 0.0 109.68 175.416 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.33 85.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.38 0.672 . . . . 0.0 112.188 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.02 -53.28 6.31 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.515 0.578 . . . . 0.0 112.913 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -61.44 -30.62 70.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.986 0.914 . . . . 0.0 113.026 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -55.14 -34.12 63.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.067 0.947 . . . . 0.0 112.539 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.57 -25.53 60.41 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.355 -0.841 . . . . 0.0 112.301 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 18.1 mt -85.18 -33.91 22.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.865 1.266 . . . . 0.0 112.105 -179.387 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.23 -35.0 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.256 1.423 . . . . 0.0 111.712 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -63.74 154.91 31.76 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.569 1.148 . . . . 0.0 113.255 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -52.77 -27.57 18.51 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.808 1.643 . . . . 0.0 114.496 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.98 -23.88 67.64 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.113 1.365 . . . . 0.0 113.339 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 CA--C 1.541 0.616 0 C-N-CA 126.015 1.726 . . . . 0.0 110.282 179.732 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.497 0 O4'-C1'-N19 111.16 2.96 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 1 C3'-C2'-C1' 105.198 4.109 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 O4'-C1'-N19 115.488 7.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 O4'-C1'-N19 111.592 3.392 . 0.155 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 O4'-C1'-N19 111.137 2.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.111 1 O4'-C1'-N19 112.583 4.383 . 0.01 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.658 3.458 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 2 O4'-C1'-N19 112.806 4.606 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 2 O4'-C1'-N19 113.987 5.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.135 -3.565 . 0.209 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C4'-C3'-C2' 100.152 -2.548 . 0.154 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 112.687 4.487 . 0.194 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C3'-C2'-C1' 103.856 2.618 . 0.422 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 P-O3'-C3' 122.338 2.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 111.239 3.039 . 0.225 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.31 13.22 3.85 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.717 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.61 161.01 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.381 1.872 . . . . 0.0 111.045 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -125.33 -177.33 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.121 1.368 . . . . 0.0 112.038 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -62.48 135.09 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.165 1.386 . . . . 0.0 111.724 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.0 m -104.36 137.55 19.26 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 125.734 1.614 . . . . 0.0 109.371 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.36 -35.68 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.754 2.969 . . . . 0.0 115.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.06 160.13 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.969 2.107 . . . . 0.0 111.044 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 15.3 ptp180 -58.3 107.66 0.52 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.303 177.376 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.44 99.91 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.416 2.287 . . . . 0.0 116.858 -172.837 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -61.02 -18.58 58.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.741 -1.849 . . . . 0.0 114.346 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -65.99 -26.58 67.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -77.32 -24.97 50.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.217 0.462 . . . . 0.0 111.167 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.81 -18.09 31.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.345 1.458 . . . . 0.0 113.074 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.8 149.9 30.9 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 121.106 1.776 . . . . 0.0 114.608 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.93 140.66 49.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.98 2.112 . . . . 0.0 108.823 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.33 147.75 41.95 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.54 140.01 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.967 1.707 . . . . 0.0 109.703 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.4 t -59.2 132.68 54.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.24 1.016 . . . . 0.0 112.499 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.18 -38.79 91.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.238 1.015 . . . . 0.0 112.104 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.84 -31.05 61.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.498 0.719 . . . . 0.0 111.913 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.73 -42.5 97.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.858 -1.151 . . . . 0.0 110.812 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -61.72 -16.15 46.77 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.841 1.656 . . . . 0.0 113.485 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -115.23 0.05 13.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.391 1.877 . . . . 0.0 113.431 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.64 69.98 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.916 1.246 . . . . 0.0 114.665 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -118.08 -7.68 10.79 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.0 t -71.02 150.04 46.0 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.332 0.969 . . . . 0.0 111.416 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -139.77 59.84 1.58 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.652 1.181 . . . . 0.0 112.653 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -154.91 149.09 19.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 126.742 2.017 . . . . 0.0 110.59 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.85 159.67 47.76 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.146 1.897 . . . . 0.0 109.459 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.09 -33.69 27.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.985 0.914 . . . . 0.0 112.272 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -62.76 -26.07 68.52 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.602 2.361 . . . . 0.0 114.759 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -120.07 -15.58 8.72 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -75.26 158.87 32.24 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 119.111 0.869 . . . . 0.0 111.702 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.78 -16.23 61.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 113.408 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -135.71 -179.93 5.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.349 1.859 . . . . 0.0 111.983 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.5 24.42 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -120.21 70.3 15.58 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.135 2.174 . . . . 0.0 111.121 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.7 165.18 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 124.14 3.227 . . . . 0.0 114.477 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -99.77 165.3 11.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.256 1.423 . . . . 0.0 110.34 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.66 -27.21 48.74 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.126 1.37 . . . . 0.0 114.62 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.7 m -85.78 -8.77 57.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.883 1.273 . . . . 0.0 114.339 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.97 163.6 25.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.423 1.01 . . . . 0.0 112.561 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -72.64 45.22 0.14 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.947 2.099 . . . . 0.0 113.576 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.45 121.23 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.836 1.254 . . . . 0.0 109.964 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -152.39 134.7 15.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.574 1.15 . . . . 0.0 110.979 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.53 36.23 3.44 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.633 1.573 . . . . 0.0 114.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 13.76 82.88 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.064 -1.022 . . . . 0.0 115.136 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -130.64 167.44 18.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.769 2.027 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.21 135.98 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.241 1.416 . . . . 0.0 107.658 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.78 129.72 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 151.3 32.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.509 0.723 . . . . 0.0 112.275 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.8 t -75.99 106.21 7.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.101 1.36 . . . . 0.0 109.3 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.75 -37.28 70.83 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.007 -1.058 . . . . 0.0 111.507 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.2 -33.49 76.13 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.344 -0.848 . . . . 0.0 111.421 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -70.07 -39.33 75.68 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.934 -1.104 . . . . 0.0 110.676 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.37 -33.14 72.03 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.163 0.892 . . . . 0.0 111.079 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.43 -10.04 59.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.466 1.506 . . . . 0.0 112.512 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 10.27 64.6 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 116.051 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -154.95 91.74 1.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.0 1.4 . . . . 0.0 111.755 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.6 t -55.85 137.23 50.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.736 1.214 . . . . 0.0 110.787 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.7 p -149.04 19.81 0.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -83.91 125.49 32.06 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.833 -1.167 . . . . 0.0 109.466 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -26.89 25.15 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -176.402 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -146.24 80.4 1.56 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.338 2.255 . . . . 0.0 107.38 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.0 t -79.78 132.73 36.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.967 0.889 . . . . 0.0 111.759 -172.861 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -134.02 3.28 3.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.325 2.25 . . . . 0.0 114.782 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -94.18 169.97 9.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.343 1.457 . . . . 0.0 112.011 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 tp -84.73 135.06 34.3 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.071 -1.018 . . . . 0.0 111.429 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -99.5 104.81 29.61 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 173.686 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.33 146.1 13.79 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.206 1.937 . . . . 0.0 113.578 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.13 161.98 43.97 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.361 2.707 . . . . 0.0 109.808 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.15 -42.34 9.79 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 124.235 3.29 . . . . 0.0 116.877 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -66.36 -45.23 80.83 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.472 1.033 . . . . 0.0 112.971 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.14 -33.87 68.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.384 -0.823 . . . . 0.0 111.26 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.13 -39.76 91.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.737 1.215 . . . . 0.0 110.612 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -66.84 -42.65 85.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.788 0.835 . . . . 0.0 110.483 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.23 -36.69 82.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.393 -0.817 . . . . 0.0 111.156 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.02 77.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.43 1.092 . . . . 0.0 109.868 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.87 -42.79 85.3 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.264 0.626 . . . . 0.0 111.959 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.05 -47.64 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.36 -41.37 98.55 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.787 0.721 . . . . 0.0 111.568 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.09 -56.41 25.44 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.251 0.929 . . . . 0.0 110.875 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -61.43 -36.58 80.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.22 -44.73 92.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.303 0.956 . . . . 0.0 111.925 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -70.25 -39.76 74.83 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.319 0.647 . . . . 0.0 111.723 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.57 -25.0 67.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.639 1.976 . . . . 0.0 114.432 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.8 mt -64.23 -35.42 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.598 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 61.76 141.89 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 128.73 2.812 . . . . 0.0 116.053 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -70.0 -24.36 63.29 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.483 -1.385 . . . . 0.0 114.02 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -74.12 -19.71 60.49 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.493 1.517 . . . . 0.0 113.48 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 126.749 2.02 . . . . 0.0 113.26 -179.128 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.686 1 O4'-C1'-N19 113.522 5.322 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C3'-C2'-C1' 104.446 3.273 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.245 3.045 . 0.022 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 116.908 8.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.666 1 O4'-C1'-N19 115.754 7.554 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.559 3.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 O4'-C1'-N19 111.882 3.682 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-O4' 114.522 3.802 . 0.062 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 3 O4'-C1'-N19 115.135 6.935 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.703 2 C5'-C4'-O4' 115.689 4.635 . 0.286 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 P-O3'-C3' 123.158 2.882 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.487 0 O4'-C4'-C3' 108.531 2.165 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 O4'-C1'-N19 111.4 3.2 . 0.243 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.322 0 O4'-C1'-N19 111.224 3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 C3'-C2'-C1' 103.375 2.083 . 0.096 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.63 2.44 3.77 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.566 1.547 . . . . 0.0 114.199 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -142.44 143.99 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.915 1.686 . . . . 0.0 109.405 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.6 p -158.77 169.83 23.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.578 1.551 . . . . 0.0 112.022 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.83 148.11 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.082 1.753 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -62.41 135.82 95.51 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 124.722 1.209 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.4 -45.64 22.14 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.051 3.168 . . . . 0.0 114.834 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.26 147.58 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.12 1.368 . . . . 0.0 111.059 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -148.99 172.45 14.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 128.22 2.608 . . . . 0.0 109.987 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -142.64 99.96 3.58 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.907 0.86 . . . . 0.0 113.171 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 p -64.23 -17.9 64.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -30.42 67.02 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.147 1.34 . . . . 0.0 113.907 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -80.41 -15.39 56.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.49 -15.16 15.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.942 1.697 . . . . 0.0 113.499 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.94 151.09 30.27 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.014 1.279 . . . . 0.0 113.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 150.74 52.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.871 2.068 . . . . 0.0 108.837 172.828 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -87.82 139.19 30.78 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.73 139.98 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.488 1.515 . . . . 0.0 109.759 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -56.57 130.42 45.05 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.934 0.894 . . . . 0.0 111.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.471 ' NH2' HE22 ' A' ' 23' ' ' GLN . 16.8 mmm180 -65.11 -33.35 75.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.941 0.896 . . . . 0.0 112.063 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.09 -32.21 39.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 112.396 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.56 -39.35 93.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.25 -0.906 . . . . 0.0 111.488 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . 0.471 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.3 mt-30 -60.26 -16.02 30.2 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.909 1.684 . . . . 0.0 113.542 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -116.9 0.08 12.37 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.648 1.979 . . . . 0.0 112.885 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.79 14.77 79.76 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.464 1.507 . . . . 0.0 114.493 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -86.95 -28.27 22.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.752 1.221 . . . . 0.0 113.164 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.31 141.01 57.31 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.927 0.891 . . . . 0.0 111.956 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 p -140.02 59.83 1.57 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.449 1.5 . . . . 0.0 111.991 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -151.59 142.73 15.45 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 126.606 1.962 . . . . 0.0 109.967 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.16 154.62 69.81 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.115 1.877 . . . . 0.0 112.069 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -51.19 -33.59 28.03 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.943 1.297 . . . . 0.0 112.732 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -64.27 -23.38 67.28 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.314 2.246 . . . . 0.0 114.694 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.94 -21.6 7.07 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.45 156.15 39.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.992 0.901 . . . . 0.0 112.052 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.31 -22.0 63.82 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.877 1.671 . . . . 0.0 113.228 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.22 -179.87 5.69 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.38 1.872 . . . . 0.0 112.529 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.74 145.39 25.23 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -174.581 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -120.18 73.37 19.94 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.031 2.132 . . . . 0.0 110.819 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.14 165.15 32.38 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.426 3.417 . . . . 0.0 114.554 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p -100.41 171.66 7.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.731 1.612 . . . . 0.0 111.543 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -21.03 58.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 m -91.66 -16.32 27.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.391 1.476 . . . . 0.0 113.606 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.9 152.95 44.63 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.637 -0.664 . . . . 0.0 112.058 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -78.08 52.51 1.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.762 1.225 . . . . 0.0 112.43 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.88 131.2 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.21 1.404 . . . . 0.0 110.71 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.87 135.88 14.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.832 1.253 . . . . 0.0 110.873 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.07 38.24 3.01 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 126.113 1.765 . . . . 0.0 114.466 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.18 12.5 84.29 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 120.989 -1.07 . . . . 0.0 115.296 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -126.22 162.18 26.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.029 2.132 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.59 139.88 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -74.39 130.03 36.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.58 149.1 21.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.002 0.921 . . . . 0.0 111.677 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.36 108.95 2.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.67 1.188 . . . . 0.0 112.268 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' HB3' ' C2 ' ' B' ' 101' ' ' ' C' . 25.9 t80 -57.7 -42.64 84.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.95 1.3 . . . . 0.0 111.211 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.14 -45.45 93.38 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.686 0.394 . . . . 0.0 111.301 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -39.88 89.98 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.096 -1.003 . . . . 0.0 112.312 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.25 -31.17 67.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.249 . . . . 0.0 112.482 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -92.14 9.24 34.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.07 1.348 . . . . 0.0 113.265 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 4.33 72.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 117.811 1.885 . . . . 0.0 117.811 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -152.02 93.03 1.78 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.535 1.667 . . . . 0.0 111.608 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.44 129.19 40.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 109.87 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -154.29 19.74 0.49 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.05 128.68 37.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.024 0.93 . . . . 0.0 110.215 178.112 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.72 -23.56 65.0 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.89 82.39 1.67 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.605 1.962 . . . . 0.0 107.783 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.5 t -79.76 112.57 17.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.136 0.97 . . . . 0.0 110.66 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -134.03 14.52 3.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.749 2.42 . . . . 0.0 113.066 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.88 170.24 8.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.058 2.143 . . . . 0.0 111.937 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -84.6 135.11 34.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.795 0.838 . . . . 0.0 110.79 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -104.57 104.65 46.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -89.48 161.22 5.44 Favored 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 123.174 2.583 . . . . 0.0 112.879 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.47 162.2 42.11 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.732 2.954 . . . . 0.0 112.024 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -44.2 -41.92 13.12 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.8 3.666 . . . . 0.0 116.837 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -64.36 -39.42 93.84 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.184 -0.947 . . . . 0.0 112.548 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 mt -77.3 -32.31 55.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.257 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.59 -43.18 93.78 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.902 1.228 . . . . 0.0 109.692 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.4 m -62.17 -44.5 96.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.494 0.718 . . . . 0.0 110.899 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.29 -37.82 84.55 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.505 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.52 -45.42 79.58 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.273 1.029 . . . . 0.0 110.337 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.69 -35.68 78.7 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.675 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.33 -47.06 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -56.91 -47.76 79.81 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.345 1.058 . . . . 0.0 110.706 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.06 -51.34 56.0 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.177 0.894 . . . . 0.0 113.917 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -59.33 -40.65 87.01 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.087 1.444 . . . . 0.0 111.647 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -63.37 -35.65 81.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.952 -0.468 . . . . 0.0 111.556 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.49 -33.16 69.02 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.3 -40.62 96.31 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.308 0.958 . . . . 0.0 109.874 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 92.8 mt -68.32 -24.46 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.316 1.446 . . . . 0.0 110.81 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 56.39 36.83 28.16 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.634 2.374 . . . . 0.0 113.523 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -53.34 -28.95 31.4 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.098 1.359 . . . . 0.0 114.076 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -61.81 -27.95 69.12 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.465 1.506 . . . . 0.0 113.698 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.545 1.138 . . . . 0.0 111.89 179.32 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.112 0 O4'-C4'-C3' 108.56 2.186 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 1 O4'-C1'-N19 113.148 4.948 . 0.093 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.282 1 O4'-C1'-N19 112.857 4.657 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.973 0 O4'-C1'-N19 111.881 3.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.395 1 O4'-C1'-N19 114.735 6.535 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C3'-C2'-C1' 104.489 3.321 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . 0.402 ' C2 ' ' HB3' ' A' ' 54' ' ' PHE . . . . . . . . 0 P--O5' 1.624 3.147 1 P-O3'-C3' 128.995 7.746 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 2 O4'-C1'-N19 113.165 4.965 . 0.013 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 3 O4'-C1'-N19 115.181 6.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 100.579 -2.121 . 0.442 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C4'-C3' 109.648 2.963 . 0.185 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C3'-C2'-C1' 104.181 2.979 . 0.052 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 111.647 3.447 . 0.01 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 110.642 2.442 . 0.414 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 1 O4'-C1'-N19 112.488 4.288 . 0.05 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.57 -18.43 65.36 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.91 1.284 . . . . 0.0 114.339 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.5 m -141.31 163.06 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.511 1.924 . . . . 0.0 111.166 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -152.02 168.4 25.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.278 1.431 . . . . 0.0 112.151 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.16 162.57 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.878 1.671 . . . . 0.0 111.494 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -62.47 135.49 95.44 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 124.523 1.129 . . . . 0.0 111.385 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.79 165.43 3.66 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.708 2.938 . . . . 0.0 114.163 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.87 158.08 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 122.695 1.236 . . . . 0.0 111.629 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -113.46 135.95 53.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.946 1.698 . . . . 0.0 111.459 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -153.43 125.2 7.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.259 1.423 . . . . 0.0 111.234 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 p -68.38 -21.84 64.68 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.111 -1.618 . . . . 0.0 113.352 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.4 -32.78 67.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.877 1.271 . . . . 0.0 114.285 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -82.39 -21.48 35.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.87 -14.33 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.774 1.629 . . . . 0.0 112.644 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.81 147.8 31.66 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.864 1.666 . . . . 0.0 114.722 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.25 140.28 43.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.184 2.194 . . . . 0.0 109.035 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 146.54 47.78 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.6 140.01 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.031 1.732 . . . . 0.0 110.23 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -62.19 126.58 27.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.423 1.089 . . . . 0.0 111.865 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -61.87 -39.89 93.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.473 -0.767 . . . . 0.0 111.844 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.39 -26.57 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.42 0.688 . . . . 0.0 111.788 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -70.68 -42.71 70.35 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.859 -1.151 . . . . 0.0 110.159 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.68 -38.32 90.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.753 0.821 . . . . 0.0 111.068 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -70.02 -20.46 63.26 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.92 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.0 31.58 38.75 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.111 1.339 . . . . 0.0 113.571 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.5 p -124.26 -18.24 5.89 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.96 140.51 58.32 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.861 1.21 . . . . 0.0 111.218 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -137.55 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.772 1.229 . . . . 0.0 111.989 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -149.85 150.36 30.12 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 126.873 2.069 . . . . 0.0 110.226 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.31 155.9 50.99 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.133 1.889 . . . . 0.0 110.552 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.67 -32.92 44.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.987 0.915 . . . . 0.0 111.91 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.339 2.256 . . . . 0.0 114.811 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.04 -20.23 7.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -71.87 153.2 42.04 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 118.856 0.753 . . . . 0.0 111.627 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -72.2 -10.44 59.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.235 1.414 . . . . 0.0 114.763 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -138.45 -179.88 6.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.489 1.916 . . . . 0.0 111.412 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.9 24.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -120.07 78.29 24.82 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 127.124 2.17 . . . . 0.0 109.853 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.7 165.12 24.2 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.992 3.128 . . . . 0.0 115.095 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -105.43 175.65 5.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.358 1.863 . . . . 0.0 111.349 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.84 -20.52 65.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -91.56 -17.99 24.77 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.215 1.406 . . . . 0.0 113.252 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -65.8 137.77 57.46 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.017 0.826 . . . . 0.0 111.399 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -81.48 55.57 2.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.147 0.979 . . . . 0.0 111.573 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -63.22 134.06 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.085 1.754 . . . . 0.0 111.372 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 146.32 22.96 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.609 1.164 . . . . 0.0 111.993 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 46.88 32.35 1.79 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.912 1.685 . . . . 0.0 114.619 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 14.53 82.05 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 120.76 -1.213 . . . . 0.0 114.988 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -129.84 164.51 23.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.692 1.997 . . . . 0.0 111.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.26 139.18 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.64 126.23 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.59 149.06 33.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.103 0.961 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.9 t -70.37 111.98 6.34 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.631 1.572 . . . . 0.0 111.176 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -58.59 -39.52 80.59 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.948 1.299 . . . . 0.0 111.314 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.57 -29.91 65.26 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.305 -0.872 . . . . 0.0 112.249 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.8 t -68.6 -41.84 79.03 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.299 -0.876 . . . . 0.0 109.78 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.46 -33.04 74.04 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.457 1.103 . . . . 0.0 111.339 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.72 -10.04 59.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.297 1.439 . . . . 0.0 112.133 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.75 6.57 69.86 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.636 2.065 . . . . 0.0 116.347 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -154.88 92.14 1.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.176 1.488 . . . . 0.0 111.456 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 t -54.31 133.2 44.99 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.672 1.189 . . . . 0.0 110.873 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p -135.94 28.51 3.19 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -173.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -118.21 113.62 21.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.699 1.6 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.53 -18.42 63.81 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -134.11 67.92 1.5 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.322 2.249 . . . . 0.0 108.213 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.7 t -79.67 129.25 34.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.362 1.077 . . . . 0.0 109.877 -173.975 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -132.13 19.57 4.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.809 2.444 . . . . 0.0 113.614 -172.019 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.6 168.17 10.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.694 1.997 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.72 135.14 34.26 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 111.135 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -96.83 104.72 19.48 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.42 143.24 13.64 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 113.235 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -73.38 161.96 41.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.478 2.785 . . . . 0.0 110.762 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.41 -43.28 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.425 3.416 . . . . 0.0 116.388 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -64.05 -32.62 74.24 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.225 0.921 . . . . 0.0 113.446 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.67 -27.56 27.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.473 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -57.65 -39.56 77.29 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.922 1.237 . . . . 0.0 110.516 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.2 m -60.55 -44.72 95.81 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.041 0.536 . . . . 0.0 111.39 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.9 -37.33 86.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.583 -0.698 . . . . 0.0 111.085 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -44.35 93.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.618 1.167 . . . . 0.0 110.685 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.67 -41.27 98.98 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.05 -1.031 . . . . 0.0 111.669 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.957 0.903 . . . . 0.0 109.792 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.55 -41.15 89.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.717 0.807 . . . . 0.0 110.452 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -52.72 -60.13 8.33 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.729 1.633 . . . . 0.0 112.239 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -65.34 -38.84 91.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.074 0.937 . . . . 0.0 112.519 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -61.0 -42.55 98.65 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.116 1.326 . . . . 0.0 112.561 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.58 -36.68 76.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.533 0.733 . . . . 0.0 111.423 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.8 tp -64.78 -39.83 94.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.049 1.74 . . . . 0.0 111.313 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.2 -20.12 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.256 1.822 . . . . 0.0 110.482 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 64.83 30.45 12.17 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.382 2.273 . . . . 0.0 112.723 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.77 -30.04 67.24 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.49 -20.14 66.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.328 1.451 . . . . 0.0 114.203 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 125.117 1.367 . . . . 0.0 112.596 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.157 0 C2'-C3'-O3' 115.874 1.741 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-O3' 117.063 2.486 . 0.115 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.416 3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 1 O4'-C1'-N19 112.216 4.016 . 0.01 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.861 -2.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 O4'-C1'-N19 111.486 3.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.225 3.025 . 0.263 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 1 O4'-C1'-N19 113.236 5.036 . 0.425 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O4'-C1'-N19 112.179 3.979 . 0.327 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 100.62 -2.08 . 0.318 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.259 1 O4'-C1'-N19 113.091 4.891 . 0.241 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 2 O4'-C1'-N19 113.18 4.98 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.564 1 O4'-C1'-N19 112.576 4.376 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 P-O3'-C3' 123.066 2.805 . 0.01 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 -17.04 64.66 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.54 154.22 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.561 1.544 . . . . 0.0 111.205 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.1 t -159.96 179.43 8.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.312 1.845 . . . . 0.0 110.993 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 p -146.94 149.36 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.251 1.42 . . . . 0.0 111.975 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 m -63.52 134.49 95.88 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.613 1.565 . . . . 0.0 110.863 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -68.4 161.22 45.77 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.776 2.317 . . . . 0.0 112.865 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.97 160.03 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 126.117 1.767 . . . . 0.0 111.286 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -125.73 152.12 45.74 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.684 1.594 . . . . 0.0 111.894 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -154.25 106.77 2.81 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -56.87 -21.14 27.11 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.836 -1.79 . . . . 0.0 114.81 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.03 -29.13 67.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 113.464 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -87.21 -28.75 22.19 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.192 0.451 . . . . 0.0 111.922 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.38 -18.14 57.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.611 1.164 . . . . 0.0 112.698 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.72 150.32 30.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.76 136.16 47.36 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.108 2.163 . . . . 0.0 108.814 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.53 149.5 40.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.52 138.23 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.071 1.748 . . . . 0.0 109.98 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.4 t -59.76 123.58 17.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.066 0.946 . . . . 0.0 111.003 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -64.31 -38.81 92.37 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.427 -0.796 . . . . 0.0 111.995 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.79 -27.23 64.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.399 0.679 . . . . 0.0 112.242 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -68.82 -44.9 72.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.394 0.997 . . . . 0.0 109.986 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -64.75 -34.87 79.35 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 111.706 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -75.07 -14.13 60.56 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 0.0 113.268 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 35.22 28.19 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.869 1.224 . . . . 0.0 113.583 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -124.56 -29.39 3.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.452 1.501 . . . . 0.0 113.964 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 139.75 58.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.474 1.034 . . . . 0.0 111.684 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.7 m -138.21 59.85 1.63 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.305 1.442 . . . . 0.0 111.566 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -145.88 147.65 33.13 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.821 2.048 . . . . 0.0 110.088 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -73.0 154.63 52.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 121.921 1.747 . . . . 0.0 109.993 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.09 -34.85 45.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.921 0.888 . . . . 0.0 111.997 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -60.25 -24.98 65.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.666 2.387 . . . . 0.0 114.598 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.11 -18.54 8.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.15 145.46 35.65 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.244 0.929 . . . . 0.0 111.144 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.01 -14.57 49.57 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.5 -179.96 5.91 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.26 1.824 . . . . 0.0 111.894 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.36 24.48 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -120.14 66.41 11.47 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.251 2.221 . . . . 0.0 110.752 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.09 165.08 33.71 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.908 3.072 . . . . 0.0 114.041 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -103.39 165.11 11.23 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.659 1.584 . . . . 0.0 109.85 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.67 -24.21 32.7 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -73.63 -20.07 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.386 1.475 . . . . 0.0 113.955 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.77 161.97 24.29 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.015 0.825 . . . . 0.0 112.597 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -73.42 46.52 0.2 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.377 1.871 . . . . 0.0 112.848 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.54 128.17 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.909 1.283 . . . . 0.0 110.384 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.93 139.8 17.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.823 1.249 . . . . 0.0 110.737 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 41.3 35.91 0.46 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.46 14.17 71.63 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -143.37 166.32 25.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.796 1.638 . . . . 0.0 112.432 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.99 139.75 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.733 1.213 . . . . 0.0 108.027 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.67 126.74 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.82 148.81 28.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.487 0.715 . . . . 0.0 111.641 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.6 t -69.39 112.98 6.3 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.708 1.203 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.8 -39.96 86.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.401 1.08 . . . . 0.0 111.461 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -67.9 -35.91 79.3 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.584 -0.698 . . . . 0.0 111.552 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -67.91 -40.28 83.42 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.24 -0.912 . . . . 0.0 111.073 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.37 -32.43 71.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.225 1.01 . . . . 0.0 111.685 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -80.65 -4.45 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.3 1.44 . . . . 0.0 112.852 174.405 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.74 67.88 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 126.424 1.964 . . . . 0.0 116.695 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -153.23 91.91 1.56 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.3 1.55 . . . . 0.0 111.32 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.36 132.05 51.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.263 1.025 . . . . 0.0 110.454 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.3 m -137.87 19.92 2.85 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -175.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -87.1 133.44 33.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.978 -1.076 . . . . 0.0 111.528 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -62.76 -29.27 70.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.083 0.953 . . . . 0.0 113.544 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -147.27 85.96 1.61 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.388 1.875 . . . . 0.0 107.911 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.9 t -79.81 132.63 36.18 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.737 0.815 . . . . 0.0 111.245 -174.637 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -133.98 5.13 3.58 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.956 2.102 . . . . 0.0 114.11 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -96.38 169.64 9.78 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.808 1.643 . . . . 0.0 111.515 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.71 135.04 34.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.96 -1.087 . . . . 0.0 111.509 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -99.05 104.82 28.14 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.48 142.22 10.39 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.544 2.163 . . . . 0.0 114.707 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.04 162.58 41.66 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 124.414 3.41 . . . . 0.0 110.61 173.66 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.05 -45.43 9.34 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.6 3.533 . . . . 0.0 117.335 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -66.41 -38.46 87.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.756 1.162 . . . . 0.0 112.565 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.27 -27.98 63.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.558 -0.714 . . . . 0.0 111.313 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.93 -39.4 91.93 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.938 1.245 . . . . 0.0 110.176 172.342 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.2 m -64.91 -43.8 91.64 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.717 -0.615 . . . . 0.0 110.691 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -60.51 -39.37 87.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.608 -0.682 . . . . 0.0 110.898 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.59 -47.83 79.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.428 1.091 . . . . 0.0 110.302 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.01 -39.72 86.78 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.131 0.878 . . . . 0.0 112.926 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.86 -46.44 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.784 0.834 . . . . 0.0 109.667 176.444 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -61.69 -42.31 98.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.352 0.661 . . . . 0.0 110.846 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.02 -60.02 9.75 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 125.9 1.714 . . . . 0.0 112.667 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -61.6 -34.93 76.48 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.803 1.301 . . . . 0.0 113.603 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.1 -43.27 71.41 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.801 0.728 . . . . 0.0 111.394 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -68.22 -34.06 75.55 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.728 0.694 . . . . 0.0 111.425 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.3 tp -56.33 -32.16 64.41 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.251 1.42 . . . . 0.0 113.679 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.13 -18.97 23.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.628 1.571 . . . . 0.0 111.629 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -142.54 45.54 1.61 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.684 2.394 . . . . 0.0 109.334 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -22.41 1.44 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.682 1.993 . . . . 0.0 116.295 -173.354 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -59.4 -30.0 68.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.643 1.177 . . . . 0.0 112.754 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 126.491 1.916 . . . . 0.0 110.549 177.856 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.246 1 O4'-C1'-N19 112.302 4.102 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C3'-C2'-C1' 104.087 2.875 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.325 0 P-O3'-C3' 124.21 3.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.803 3.603 . 0.473 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 O4'-C1'-N19 113.108 4.908 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 O4'-C1'-N19 114.544 6.344 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 P-O3'-C3' 123.491 3.159 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 O4'-C1'-N19 111.135 2.935 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 1 O4'-C1'-N19 115.804 7.604 . 0.226 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.9 1 O5'-C5'-C4' 116.542 4.53 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 O4'-C1'-N19 111.774 3.574 . 0.462 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 111.209 3.009 . 0.375 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 98.838 -3.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.228 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptp . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 166.11 30.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.766 1.626 . . . . 0.0 112.169 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.47 158.03 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.659 1.584 . . . . 0.0 110.995 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -151.34 161.13 43.25 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.586 1.554 . . . . 0.0 112.022 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 p -158.03 161.63 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.785 1.634 . . . . 0.0 110.717 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -62.44 143.18 96.12 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.095 0.958 . . . . 0.0 111.183 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.16 161.44 5.16 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.884 3.056 . . . . 0.0 116.032 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.85 160.11 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.041 1.337 . . . . 0.0 111.29 176.444 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -140.11 177.26 8.11 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -142.77 99.86 3.56 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.799 1.239 . . . . 0.0 112.854 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -59.57 -16.41 25.15 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -51.32 -32.02 23.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.6 1.56 . . . . 0.0 113.537 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -87.84 -26.18 22.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.45 -13.96 44.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.605 1.162 . . . . 0.0 112.586 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.82 152.71 29.58 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -139.06 146.28 40.59 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.181 2.592 . . . . 0.0 109.28 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.62 140.76 33.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.0 t -87.61 140.03 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.205 1.802 . . . . 0.0 110.287 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -58.5 134.68 56.91 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.069 0.948 . . . . 0.0 112.351 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -64.8 -45.69 85.18 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.336 -0.852 . . . . 0.0 111.021 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -68.01 -26.08 65.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.485 0.714 . . . . 0.0 112.202 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.92 -44.42 69.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.138 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.13 -34.98 79.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.169 0.988 . . . . 0.0 111.317 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.51 -19.49 63.72 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.832 1.653 . . . . 0.0 112.796 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.99 28.8 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 112.359 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -122.76 -34.96 3.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.847 1.659 . . . . 0.0 113.642 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -64.25 135.0 55.84 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.217 0.917 . . . . 0.0 111.156 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 m -139.84 59.72 1.58 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.72 1.208 . . . . 0.0 112.251 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -148.63 153.83 40.16 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.959 2.103 . . . . 0.0 110.036 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.84 152.1 63.43 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.779 1.653 . . . . 0.0 110.43 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.53 -25.16 36.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -66.37 -30.08 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.268 1.427 . . . . 0.0 112.246 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.29 -31.92 11.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.959 1.304 . . . . 0.0 112.703 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.27 170.04 14.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.775 0.83 . . . . 0.0 111.58 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.61 -11.96 49.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.259 1.424 . . . . 0.0 113.838 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.13 -179.81 6.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 112.344 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.72 145.14 25.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.639 0.776 . . . . 0.0 112.986 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.13 74.07 20.65 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.706 2.002 . . . . 0.0 111.434 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.44 165.09 33.7 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.13 3.22 . . . . 0.0 114.104 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -94.48 160.53 14.61 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.996 1.318 . . . . 0.0 109.53 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -57.69 -22.77 48.03 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.379 1.071 . . . . 0.0 113.711 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -78.94 -23.84 44.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.007 2.123 . . . . 0.0 114.376 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.03 160.21 32.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.965 0.906 . . . . 0.0 112.958 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -75.52 54.72 0.77 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.168 1.387 . . . . 0.0 112.59 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.26 130.79 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.92 1.288 . . . . 0.0 109.488 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.05 134.75 17.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.545 1.138 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 40.78 32.01 0.14 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.023 2.529 . . . . 0.0 117.378 179.202 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 13.97 58.29 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.576 1.084 . . . . 0.0 114.529 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -130.16 162.51 28.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.918 2.087 . . . . 0.0 110.805 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.72 138.82 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.547 1.139 . . . . 0.0 108.083 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.04 126.97 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 151.99 29.72 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.783 0.833 . . . . 0.0 112.728 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.8 106.05 4.6 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.617 1.567 . . . . 0.0 109.881 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.41 -37.23 67.35 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.608 1.163 . . . . 0.0 111.538 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.47 -31.15 70.24 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.575 -0.703 . . . . 0.0 111.984 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.7 t -69.36 -37.69 77.74 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.176 -0.952 . . . . 0.0 110.539 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.22 -33.08 72.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.285 -0.885 . . . . 0.0 111.112 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.45 -3.04 48.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.779 1.232 . . . . 0.0 113.235 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.76 82.66 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.709 1.623 . . . . 0.0 116.222 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -153.43 89.11 1.32 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.185 1.492 . . . . 0.0 111.838 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.4 t -51.4 126.16 16.33 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.174 1.39 . . . . 0.0 110.771 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m -142.13 19.77 2.1 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.2 145.27 37.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.018 -1.052 . . . . 0.0 111.521 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.98 -39.02 88.06 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.259 1.024 . . . . 0.0 112.715 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -144.79 92.18 2.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.144 2.178 . . . . 0.0 107.003 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.1 t -80.05 114.65 19.12 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.151 0.981 . . . . 0.0 111.749 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -134.2 35.53 3.25 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.024 2.13 . . . . 0.0 112.119 177.952 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -117.36 168.22 10.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.198 2.199 . . . . 0.0 110.69 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.76 135.07 34.28 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.885 -1.135 . . . . 0.0 112.315 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -96.23 104.96 19.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.176 1.39 . . . . 0.0 107.465 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.39 135.07 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.06 1.84 . . . . 0.0 115.211 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.36 163.37 39.01 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.652 2.902 . . . . 0.0 109.672 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -42.96 -43.48 9.35 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.403 3.402 . . . . 0.0 117.556 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -67.9 -44.84 76.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.503 1.047 . . . . 0.0 112.843 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 mt -71.74 -32.79 68.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.362 -0.836 . . . . 0.0 111.319 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.9 -38.55 86.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.955 1.302 . . . . 0.0 110.436 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 m -67.87 -43.84 78.49 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.123 0.569 . . . . 0.0 110.27 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -35.5 77.34 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.2 -0.937 . . . . 0.0 111.144 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.91 -50.47 66.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.132 1.373 . . . . 0.0 110.25 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.31 -32.39 73.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.88 1.218 . . . . 0.0 112.897 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.29 -47.95 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.352 0.661 . . . . 0.0 109.553 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.25 -43.81 92.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.003 0.921 . . . . 0.0 110.508 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.89 11.45 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 125.773 1.654 . . . . 0.0 112.137 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -50.31 70.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.444 1.122 . . . . 0.0 112.073 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -56.82 -46.4 81.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.176 0.59 . . . . 0.0 112.305 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.42 -33.81 74.87 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.267 -0.895 . . . . 0.0 112.26 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.25 -32.35 73.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.767 1.227 . . . . 0.0 111.167 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.53 -39.62 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.21 1.004 . . . . 0.0 110.363 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -157.88 118.67 3.47 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.317 1.847 . . . . 0.0 110.134 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -58.03 -25.44 61.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.86 -21.34 61.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.923 1.289 . . . . 0.0 112.622 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 CA--C 1.536 0.44 0 C-N-CA 126.022 1.729 . . . . 0.0 110.597 -179.47 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.881 0 O4'-C1'-N19 111.412 3.212 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 2 O4'-C1'-N19 116.931 8.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.371 0 N19-C1'-C2' 117.428 2.517 OUTLIER-DELTA 0.052 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O5'-C5'-C4' 114.678 3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.633 1 O4'-C1'-N19 114.147 5.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.793 0 O4'-C1'-N19 110.676 2.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.774 3.574 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 1 C3'-C2'-C1' 106.077 5.086 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 2 O4'-C1'-N19 115.78 7.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.507 0 O5'-C5'-C4' 115.212 3.58 OUTLIER-DELTA 0.113 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 O4'-C1'-N19 111.942 3.742 . 0.011 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 111.331 3.131 . 0.345 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.052 0 O4'-C1'-N19 111.225 3.025 . 0.522 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.74 13.69 2.71 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.915 1.686 . . . . 0.0 113.496 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.03 163.65 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.212 1.805 . . . . 0.0 111.677 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.7 m -153.88 161.97 41.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.081 1.752 . . . . 0.0 111.159 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -150.75 157.16 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.317 1.447 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 m -62.39 132.79 94.3 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.963 1.305 . . . . 0.0 111.237 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.81 157.5 10.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.714 2.943 . . . . 0.0 115.167 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 pt -79.96 160.08 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.68 1.192 . . . . 0.0 112.636 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 17.5 ptp180 -54.69 124.06 15.2 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.418 1.487 . . . . 0.0 112.332 178.085 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.31 100.0 6.55 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -174.752 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 p -63.05 -14.17 44.86 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.883 -1.761 . . . . 0.0 114.653 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.85 -29.91 69.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.12 0.968 . . . . 0.0 113.037 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -78.62 -16.6 57.18 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.76 -0.587 . . . . 0.0 112.21 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.48 -16.58 19.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 0.0 113.376 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.84 146.31 32.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.605 1.548 . . . . 0.0 114.069 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -133.49 138.06 45.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.541 1.936 . . . . 0.0 109.339 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -76.56 142.52 40.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.605 1.162 . . . . 0.0 113.806 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.29 140.0 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.079 2.151 . . . . 0.0 110.506 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.45 136.46 56.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.218 1.007 . . . . 0.0 112.298 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -63.71 -51.91 62.91 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.063 0.945 . . . . 0.0 110.864 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -28.84 70.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.858 0.863 . . . . 0.0 112.454 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -66.22 -41.38 90.19 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.969 -1.082 . . . . 0.0 110.539 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.05 -32.4 72.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.06 0.944 . . . . 0.0 111.703 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -78.79 -11.84 60.0 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.969 0.908 . . . . 0.0 112.974 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.25 29.78 52.39 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.972 1.272 . . . . 0.0 114.01 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.1 p -121.86 -18.71 6.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.19 135.77 56.6 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.942 1.247 . . . . 0.0 110.204 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -136.74 59.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.304 1.041 . . . . 0.0 113.292 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -159.86 154.89 21.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 126.286 1.835 . . . . 0.0 111.145 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.04 155.18 69.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.192 1.928 . . . . 0.0 110.876 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -54.05 -31.86 52.79 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -64.56 -26.17 68.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.973 1.309 . . . . 0.0 112.897 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.72 -20.38 15.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.4 1.48 . . . . 0.0 112.248 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.73 170.07 15.49 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.993 1.317 . . . . 0.0 112.391 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -92.43 -8.03 45.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.183 1.793 . . . . 0.0 114.472 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -142.39 -179.92 6.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.818 2.047 . . . . 0.0 111.632 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.64 148.44 23.32 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -120.2 78.26 25.81 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 126.557 1.943 . . . . 0.0 111.014 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.58 165.17 30.22 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.362 3.375 . . . . 0.0 114.754 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -105.38 169.26 8.56 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.161 1.784 . . . . 0.0 110.946 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -55.7 -31.09 62.15 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.563 1.145 . . . . 0.0 113.855 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -76.22 -19.42 58.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.349 1.459 . . . . 0.0 114.141 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.52 142.13 50.13 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.316 -0.865 . . . . 0.0 111.191 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -81.57 58.25 3.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.837 0.827 . . . . 0.0 111.787 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.64 133.75 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.693 1.997 . . . . 0.0 111.102 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.11 144.87 22.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.118 0.967 . . . . 0.0 112.667 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 43.38 31.97 0.45 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.545 1.938 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.82 9.96 73.45 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 120.827 -1.171 . . . . 0.0 115.926 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 167.72 21.27 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.94 1.87 . . . . 0.0 112.331 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.64 141.21 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.189 0.996 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -73.94 126.57 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.17 152.03 26.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.876 0.87 . . . . 0.0 112.594 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.8 t -71.78 106.76 4.27 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 110.584 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.05 -39.91 75.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 111.559 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -64.74 -42.43 95.19 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 0.0 111.651 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -68.75 -37.8 79.67 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.135 -0.978 . . . . 0.0 112.048 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.18 -26.01 64.44 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.739 1.216 . . . . 0.0 112.642 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -98.33 7.17 46.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.847 1.659 . . . . 0.0 112.963 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.05 6.3 69.48 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 117.918 1.927 . . . . 0.0 117.918 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -152.51 88.12 1.34 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.189 1.995 . . . . 0.0 112.884 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -53.43 128.1 27.41 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.041 1.336 . . . . 0.0 110.303 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.5 m -144.47 19.91 1.7 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.36 143.08 50.33 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.62 -1.3 . . . . 0.0 112.708 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.82 -32.76 74.37 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 0.0 111.546 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -146.48 94.36 2.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.152 2.181 . . . . 0.0 107.16 175.489 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 t -79.84 113.52 18.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 122.413 1.102 . . . . 0.0 110.218 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -127.59 12.51 6.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.995 2.518 . . . . 0.0 112.76 -175.678 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -104.12 169.62 8.38 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.083 1.753 . . . . 0.0 111.941 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.78 135.14 34.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.894 0.877 . . . . 0.0 111.112 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -102.01 104.71 37.83 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -85.71 160.57 10.65 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.092 2.528 . . . . 0.0 113.472 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.34 158.59 44.53 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.713 2.942 . . . . 0.0 111.824 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -45.19 -43.46 16.37 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.679 3.586 . . . . 0.0 116.579 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -62.74 -40.55 97.58 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.243 -0.911 . . . . 0.0 112.053 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -79.54 -28.3 41.26 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.889 0.876 . . . . 0.0 111.46 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.342 0.974 . . . . 0.0 109.664 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 m -64.2 -44.77 90.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.411 0.685 . . . . 0.0 110.416 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -60.95 -37.82 83.69 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.737 -0.602 . . . . 0.0 111.191 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.33 -46.82 78.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.263 1.025 . . . . 0.0 110.529 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.49 -44.55 80.77 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.241 0.616 . . . . 0.0 110.181 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.7 mt -63.04 -45.46 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.294 1.038 . . . . 0.0 110.916 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -53.75 -45.22 70.5 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.553 1.141 . . . . 0.0 112.222 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.96 -44.93 6.51 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.546 -0.586 . . . . 0.0 114.239 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -61.08 -34.2 74.55 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.144 1.472 . . . . 0.0 112.815 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.81 -28.11 67.17 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.775 0.716 . . . . 0.0 112.4 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.52 -38.08 30.41 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.54 -0.725 . . . . 0.0 110.847 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 53.0 mt -61.31 -36.97 81.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.672 0.789 . . . . 0.0 111.489 176.303 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.55 -18.96 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 125.731 1.612 . . . . 0.0 111.912 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -122.36 29.66 6.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.417 1.487 . . . . 0.0 114.65 -175.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -58.04 -24.6 59.04 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.4 -29.94 71.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.113 1.365 . . . . 0.0 113.06 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.113 1.365 . . . . 0.0 111.332 179.612 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.948 1 O4'-C1'-N19 114.335 6.135 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.925 3.725 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 100.028 -2.672 . 0.611 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 100.868 -1.832 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-C2' 101.083 -3.798 . 0.203 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 O4'-C1'-N19 112.746 4.546 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 O3'-P-O5' 97.327 -3.512 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.479 1 C3'-C2'-C1' 106.055 5.061 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.536 3 O4'-C1'-N19 114.959 6.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.053 -3.647 . 0.425 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.467 0 O4'-C1'-C2' 102.205 -2.996 . 0.065 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 1 O4'-C1'-N19 112.986 4.786 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 1 O4'-C1'-N19 112.796 4.596 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 111.137 2.937 . 0.022 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 110.807 2.607 . 0.37 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 CA--C 1.545 0.768 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.93 5.74 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.508 1.523 . . . . 0.0 114.284 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 t -140.89 146.19 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.631 1.572 . . . . 0.0 109.843 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.8 p -155.45 167.85 29.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.591 1.557 . . . . 0.0 112.025 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.55 156.52 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.312 1.045 . . . . 0.0 112.826 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 m -62.47 129.57 92.67 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 124.398 1.079 . . . . 0.0 111.709 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.21 -32.43 70.6 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.936 3.091 . . . . 0.0 115.727 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 pt -120.1 160.04 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.382 1.873 . . . . 0.0 112.856 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -69.17 171.25 8.64 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.71 1.604 . . . . 0.0 112.189 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -138.39 99.88 3.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.359 1.063 . . . . 0.0 112.826 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.6 p -68.1 -12.99 61.86 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.562 -1.336 . . . . 0.0 114.569 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -56.13 -27.4 53.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.791 1.236 . . . . 0.0 113.439 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -86.61 -17.9 32.76 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.12 -15.75 24.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.52 1.528 . . . . 0.0 112.754 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.77 152.21 29.93 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.399 1.454 . . . . 0.0 114.179 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -133.08 145.35 50.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.869 2.067 . . . . 0.0 108.363 173.456 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.25 141.37 35.62 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.92 139.68 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.947 1.299 . . . . 0.0 109.272 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.72 132.81 54.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.051 0.941 . . . . 0.0 111.956 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -65.29 -41.85 93.71 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.899 0.88 . . . . 0.0 111.503 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.74 -26.86 61.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.364 0.666 . . . . 0.0 111.703 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.41 -42.74 82.77 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.729 -1.232 . . . . 0.0 110.362 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.3 -35.64 81.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.205 1.002 . . . . 0.0 111.54 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -75.0 -16.37 60.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.94 1.296 . . . . 0.0 113.089 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.98 44.8 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.013 1.292 . . . . 0.0 113.458 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.1 p -124.81 -13.71 6.87 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.89 145.5 56.21 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.965 1.257 . . . . 0.0 111.166 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 p -140.08 59.69 1.57 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.459 1.104 . . . . 0.0 113.072 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -149.6 148.75 26.74 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.825 2.05 . . . . 0.0 110.116 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.74 157.77 51.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.986 1.791 . . . . 0.0 110.149 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.32 -32.45 25.24 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.029 0.932 . . . . 0.0 112.237 176.368 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -64.35 -24.76 67.75 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.622 2.369 . . . . 0.0 115.006 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -120.0 -20.31 7.52 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.3 155.16 41.0 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.792 0.806 . . . . 0.0 111.679 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.83 -9.69 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.07 1.348 . . . . 0.0 113.997 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.79 -179.93 6.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.432 1.893 . . . . 0.0 111.985 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 143.38 26.84 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.159 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.09 71.11 15.96 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 127.055 2.142 . . . . 0.0 110.863 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.62 165.12 33.48 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.974 3.116 . . . . 0.0 114.035 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.38 167.8 9.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.728 1.611 . . . . 0.0 110.212 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.73 -26.34 44.89 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -78.54 -16.37 57.53 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.586 1.554 . . . . 0.0 114.197 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -77.88 157.04 30.01 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.15 0.886 . . . . 0.0 112.423 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 50.08 0.61 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.309 1.444 . . . . 0.0 112.209 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.09 127.23 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.874 -1.141 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.65 130.11 12.97 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.348 1.059 . . . . 0.0 111.413 -176.339 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 45.91 36.91 3.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.77 1.628 . . . . 0.0 115.249 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 115.458 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -131.93 167.42 19.66 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.625 1.97 . . . . 0.0 110.733 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.04 137.34 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mt -74.86 129.49 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.02 151.99 25.59 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.716 0.807 . . . . 0.0 112.513 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.76 109.83 8.56 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.059 1.344 . . . . 0.0 110.241 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.37 -45.73 84.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.357 1.063 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -60.83 -38.43 85.43 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.615 -0.678 . . . . 0.0 111.925 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -70.32 -39.86 74.51 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.333 -0.854 . . . . 0.0 111.66 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.29 -29.62 65.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.57 1.148 . . . . 0.0 112.101 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.86 5.45 51.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.469 1.508 . . . . 0.0 113.263 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.01 5.92 70.07 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 118.566 2.186 . . . . 0.0 118.566 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -152.67 88.68 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.419 2.11 . . . . 0.0 112.104 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.1 t -52.88 126.18 19.41 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.019 1.328 . . . . 0.0 111.16 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -146.72 19.87 1.3 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.878 1.271 . . . . 0.0 114.221 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.03 145.08 56.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.26 -30.92 69.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.658 1.183 . . . . 0.0 113.006 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -156.46 95.58 1.58 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.975 2.51 . . . . 0.0 106.34 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.95 112.0 16.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.626 1.203 . . . . 0.0 110.779 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -132.19 0.65 3.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.217 2.607 . . . . 0.0 112.505 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -89.93 167.69 12.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.027 1.731 . . . . 0.0 111.272 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 tp -84.68 135.18 34.27 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.972 -1.08 . . . . 0.0 112.088 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -101.69 104.67 36.37 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 171.42 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -89.73 161.44 5.18 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 C-N-CA 122.993 2.462 . . . . 0.0 112.385 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.0 160.4 47.69 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.29 2.66 . . . . 0.0 111.702 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.3 -44.18 13.1 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.389 3.393 . . . . 0.0 116.218 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -62.27 -30.74 71.34 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -86.03 -31.66 21.86 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.403 1.081 . . . . 0.0 111.292 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -58.35 -46.34 86.46 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.644 1.111 . . . . 0.0 110.32 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -60.52 -41.92 95.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.038 0.535 . . . . 0.0 111.72 177.338 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.99 -40.23 94.93 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.68 -0.638 . . . . 0.0 110.954 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.69 -47.43 83.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.14 0.976 . . . . 0.0 111.02 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -63.4 -38.42 91.08 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.37 -0.831 . . . . 0.0 112.366 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.05 -48.16 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.546 0.738 . . . . 0.0 110.092 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -60.8 -41.9 96.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.228 0.611 . . . . 0.0 111.25 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.69 -56.28 25.96 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.22 0.914 . . . . 0.0 111.864 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -60.47 -38.41 84.13 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.27 -33.66 76.5 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.912 -0.492 . . . . 0.0 111.574 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.0 -30.91 71.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.371 1.5 pt? -100.11 0.43 40.67 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.7 tt -64.07 -11.51 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.397 1.479 . . . . 0.0 114.599 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -125.71 24.08 7.22 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.547 1.539 . . . . 0.0 113.975 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.34 -26.41 7.59 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.782 1.633 . . . . 0.0 114.817 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -62.83 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.661 1.584 . . . . 0.0 114.141 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 125.629 1.571 . . . . 0.0 111.449 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.164 1 O4'-C1'-N19 112.369 4.169 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 111.378 3.178 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.296 3.096 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.213 3.013 . 0.787 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 1 O4'-C1'-N19 114.093 5.893 . 0.528 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.873 0 O4'-C1'-C2' 102.898 -2.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C3'-C2'-C1' 104.303 3.114 . 0.06 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C3'-C2'-C1' 105.009 3.899 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 1 P-O3'-C3' 125.0 4.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.52 0 C5'-C4'-O4' 114.586 3.847 . 0.415 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.534 1 O3'-P-O5' 95.6 -4.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 O3'-P-O5' 97.673 -3.33 . 0.022 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 P-O3'-C3' 122.619 2.433 . 0.155 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 113.193 4.993 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.183 0 P-O3'-C3' 123.078 2.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.18 -7.01 51.13 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.283 1.433 . . . . 0.0 114.256 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.54 166.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.806 1.642 . . . . 0.0 113.307 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.8 p -145.52 175.24 10.49 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.964 1.705 . . . . 0.0 110.962 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 m -63.36 134.22 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 120.927 -1.108 . . . . 0.0 111.78 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.7 m -66.13 127.4 93.19 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 123.895 0.878 . . . . 0.0 111.146 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -76.1 -165.82 0.33 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 124.311 3.341 . . . . 0.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.05 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.147 -0.971 . . . . 0.0 111.549 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 0.15 89.89 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 129.629 3.172 . . . . 0.0 114.696 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.36 99.81 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.456 1.903 . . . . 0.0 114.189 -176.035 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -66.87 -16.98 64.66 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 119.785 -1.822 . . . . 0.0 113.21 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -59.1 -26.32 64.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.863 1.265 . . . . 0.0 113.491 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -87.23 -21.04 26.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.002 0.819 . . . . 0.0 112.2 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.33 -15.28 38.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.8 144.44 33.54 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -130.11 134.91 47.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.846 2.058 . . . . 0.0 110.349 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.06 140.71 58.36 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.553 1.541 . . . . 0.0 114.41 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -90.25 140.02 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.523 1.929 . . . . 0.0 110.404 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -61.94 124.12 19.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.385 1.074 . . . . 0.0 112.932 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -35.88 78.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.285 1.034 . . . . 0.0 112.293 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.66 -32.13 62.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.219 0.608 . . . . 0.0 111.083 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.6 -42.25 91.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.773 -1.204 . . . . 0.0 110.301 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.54 -16.18 54.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.384 1.474 . . . . 0.0 113.651 175.294 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.99 0.12 15.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.938 1.695 . . . . 0.0 112.686 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.18 28.0 70.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.912 1.244 . . . . 0.0 114.834 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.4 p -115.39 -14.97 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 t -68.99 144.01 54.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.402 1.001 . . . . 0.0 111.041 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.09 59.96 1.56 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.341 1.056 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -149.24 150.1 30.95 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 126.576 1.95 . . . . 0.0 110.551 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.96 156.71 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.109 1.873 . . . . 0.0 110.251 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -52.03 -33.15 37.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.003 0.921 . . . . 0.0 112.242 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -64.0 -24.67 67.8 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 127.463 2.305 . . . . 0.0 114.968 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -120.01 -18.68 8.09 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.1 163.61 25.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.428 1.109 . . . . 0.0 112.9 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -73.49 -19.39 60.94 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.557 1.943 . . . . 0.0 114.104 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.89 -179.71 6.37 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.208 2.203 . . . . 0.0 111.575 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 148.89 22.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -120.04 78.62 24.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.041 2.137 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.02 165.14 31.14 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.414 3.409 . . . . 0.0 115.188 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.6 p -105.46 175.62 5.43 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.367 1.867 . . . . 0.0 110.794 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.77 -21.64 66.52 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 m -91.57 -17.13 26.09 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.277 1.431 . . . . 0.0 113.68 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -65.58 147.35 53.55 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.686 0.675 . . . . 0.0 112.362 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -81.39 64.4 6.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.317 1.047 . . . . 0.0 111.654 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.75 135.37 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.236 1.415 . . . . 0.0 109.559 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -154.98 135.52 13.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.28 1.432 . . . . 0.0 110.823 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 42.76 39.49 1.7 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.228 1.811 . . . . 0.0 115.5 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.59 13.25 80.46 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 120.879 -1.138 . . . . 0.0 115.414 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -131.05 169.2 16.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.915 2.086 . . . . 0.0 110.556 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.21 137.97 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.3 mt -72.86 127.54 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.56 152.06 22.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.094 0.958 . . . . 0.0 113.026 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.35 106.09 3.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.82 1.648 . . . . 0.0 110.554 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.51 -42.52 64.38 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.403 1.081 . . . . 0.0 111.902 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -64.11 -32.88 74.61 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.57 -0.707 . . . . 0.0 112.007 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 t -69.36 -41.65 76.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.632 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.69 -33.06 71.09 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.412 1.006 . . . . 0.0 111.772 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -81.09 -2.46 48.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.814 1.246 . . . . 0.0 112.831 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.08 69.96 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 126.279 1.895 . . . . 0.0 117.291 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -154.64 92.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.391 1.595 . . . . 0.0 111.851 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.3 t -56.8 131.3 48.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.94 0.896 . . . . 0.0 109.345 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -154.35 19.94 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -89.8 134.7 34.05 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.916 -1.115 . . . . 0.0 111.714 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.06 -11.04 60.58 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.793 1.237 . . . . 0.0 114.269 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.14 52.59 2.05 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.811 2.044 . . . . 0.0 111.48 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.1 t -79.74 112.03 16.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.093 0.949 . . . . 0.0 110.935 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . 0.412 ' HE2' ' C8 ' ' B' ' 100' ' ' ' G' . 61.1 pttt -134.05 17.78 3.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.882 2.473 . . . . 0.0 112.66 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -109.38 170.03 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.033 2.133 . . . . 0.0 112.642 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.1 tp -84.53 135.11 34.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.995 -1.066 . . . . 0.0 111.925 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -97.73 104.82 23.07 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.65 150.0 16.55 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.383 2.055 . . . . 0.0 113.609 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.37 162.75 41.26 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.382 2.721 . . . . 0.0 110.793 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -42.97 -42.65 9.33 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.536 3.491 . . . . 0.0 117.015 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -66.09 -48.87 69.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.174 0.897 . . . . 0.0 112.954 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.82 -33.84 71.1 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.423 -0.798 . . . . 0.0 111.597 176.266 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.89 -47.05 87.32 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.137 1.375 . . . . 0.0 110.372 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.9 m -63.68 -42.99 97.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.356 0.663 . . . . 0.0 110.836 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.62 -38.77 91.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.655 0.661 . . . . 0.0 111.222 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.98 -46.01 89.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.63 0.772 . . . . 0.0 110.757 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.61 -37.86 85.49 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.291 -0.88 . . . . 0.0 111.789 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.3 -45.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.108 0.963 . . . . 0.0 110.235 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.68 -40.7 88.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.044 0.938 . . . . 0.0 110.314 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.39 -51.79 56.58 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.109 1.337 . . . . 0.0 110.918 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -47.17 75.33 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.666 1.233 . . . . 0.0 111.558 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.46 -48.45 81.7 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.135 -0.353 . . . . 0.0 111.383 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -62.81 -35.08 78.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.296 -0.877 . . . . 0.0 112.345 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.33 -34.36 78.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.147 1.779 . . . . 0.0 111.323 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.4 mt -78.85 -39.45 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.829 0.851 . . . . 0.0 109.718 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -83.29 33.26 0.45 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.079 1.752 . . . . 0.0 113.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -21.78 5.22 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.006 1.722 . . . . 0.0 114.68 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.93 -13.44 62.24 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.55 1.94 . . . . 0.0 113.672 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 127.382 2.273 . . . . 0.0 113.887 -178.404 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.176 0 C3'-C2'-C1' 103.974 2.749 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 O4'-C1'-N19 111.266 3.066 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.707 0 N19-C1'-C2' 117.821 2.763 . 0.099 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.363 0 O4'-C1'-N19 111.671 3.471 . 0.235 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 C1'-O4'-C4' 104.939 -5.179 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . 0.412 ' C8 ' ' HE2' ' A' ' 67' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 O4'-C1'-N19 110.889 2.689 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O3'-P-O5' 97.828 -3.248 . 0.164 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 O4'-C1'-N19 111.764 3.564 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 2 O4'-C1'-N19 115.591 7.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C5'-C4'-O4' 114.217 3.584 . 0.38 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 O4'-C1'-N19 113.904 5.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.191 0 O4'-C1'-N19 111.996 3.796 . 0.499 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 N19-C1'-C2' 117.385 2.491 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 P-O3'-C3' 122.383 2.236 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 O4'-C1'-N19 113.689 5.489 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 CA--C 1.544 0.74 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.15 167.41 26.93 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.034 1.734 . . . . 0.0 112.041 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.9 m -64.82 157.35 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.512 1.125 . . . . 0.0 112.923 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.7 t -153.14 175.98 12.42 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.194 1.397 . . . . 0.0 111.555 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.55 160.13 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.346 1.458 . . . . 0.0 112.96 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -62.43 134.87 95.11 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.689 1.195 . . . . 0.0 111.278 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.48 -55.09 1.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.84 2.36 . . . . 0.0 113.019 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 tt -120.23 155.3 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.715 1.606 . . . . 0.0 112.119 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -151.08 163.49 38.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.69 2.796 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -157.17 99.84 1.82 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -57.07 -18.75 15.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.24 -1.537 . . . . 0.0 114.662 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.07 -26.32 68.19 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.737 1.153 . . . . 0.0 113.019 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -80.29 -12.67 59.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.695 0.68 . . . . 0.0 112.367 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.72 -15.79 14.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.624 1.57 . . . . 0.0 113.57 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -79.9 151.64 30.04 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.62 1.555 . . . . 0.0 113.709 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.1 mt -133.08 138.88 46.88 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.891 2.076 . . . . 0.0 108.654 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.5 146.47 40.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.41 140.03 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.219 1.807 . . . . 0.0 109.807 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.16 134.5 57.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 112.419 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -68.52 -42.06 79.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.888 0.875 . . . . 0.0 111.567 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.79 -28.06 66.44 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.182 0.593 . . . . 0.0 111.502 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.7 -44.64 73.52 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.755 -1.216 . . . . 0.0 110.556 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.64 -35.26 80.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.152 0.981 . . . . 0.0 111.295 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -73.05 -20.36 60.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.094 1.758 . . . . 0.0 112.915 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 33.05 34.2 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.396 1.474 . . . . 0.0 113.736 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -128.16 -11.63 5.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.9 148.7 42.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.876 1.216 . . . . 0.0 112.415 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -140.0 59.82 1.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.804 1.242 . . . . 0.0 113.512 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -152.89 150.12 23.58 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 126.859 2.064 . . . . 0.0 110.764 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.08 158.75 48.92 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.159 1.906 . . . . 0.0 109.594 173.624 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.75 -33.5 23.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.237 1.015 . . . . 0.0 112.587 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -64.41 -25.84 68.19 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.385 2.274 . . . . 0.0 114.745 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -120.04 -14.76 8.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.89 157.68 32.98 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.036 0.834 . . . . 0.0 111.476 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.64 -9.52 58.75 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.219 1.408 . . . . 0.0 114.685 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -141.36 -179.9 6.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.805 2.042 . . . . 0.0 111.225 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 147.83 23.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -175.532 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -120.24 71.6 17.47 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 127.225 2.21 . . . . 0.0 111.186 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.69 165.11 33.1 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 124.023 3.149 . . . . 0.0 113.844 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 t -105.45 177.36 4.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.77 1.228 . . . . 0.0 111.62 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.12 -27.31 66.94 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.214 1.406 . . . . 0.0 113.468 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -80.16 -16.49 54.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.399 1.48 . . . . 0.0 114.141 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.7 m -78.87 150.44 32.21 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.201 0.909 . . . . 0.0 112.111 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -79.72 62.74 4.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.082 0.953 . . . . 0.0 111.405 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 t -72.73 129.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.229 1.412 . . . . 0.0 109.598 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -144.38 129.7 18.8 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.334 1.453 . . . . 0.0 111.634 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 42.43 40.46 1.88 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.907 1.683 . . . . 0.0 115.253 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.26 78.36 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.092 -1.005 . . . . 0.0 115.285 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -133.35 166.06 23.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.9 2.08 . . . . 0.0 110.48 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.6 138.46 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -75.83 126.68 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 151.33 30.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.561 0.745 . . . . 0.0 112.166 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 t -75.77 112.26 11.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.081 1.352 . . . . 0.0 110.523 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.73 -44.37 85.98 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.394 -0.816 . . . . 0.0 110.99 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -62.7 -39.72 94.9 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.888 -0.508 . . . . 0.0 111.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -69.11 -38.47 78.92 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.964 -1.085 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.79 -33.02 72.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.317 1.047 . . . . 0.0 110.9 174.446 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -6.89 52.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.595 1.558 . . . . 0.0 112.543 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 8.79 66.31 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 126.976 2.227 . . . . 0.0 116.267 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -155.89 92.88 1.4 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.925 1.363 . . . . 0.0 111.591 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.3 t -55.1 142.43 30.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.133 0.973 . . . . 0.0 110.268 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -112.17 20.0 17.23 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.923 1.289 . . . . 0.0 114.213 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -130.13 166.98 19.08 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.188 1.395 . . . . 0.0 114.472 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.17 6.77 5.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.58 2.352 . . . . 0.0 111.615 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -143.19 42.59 1.53 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.72 3.208 . . . . 0.0 109.246 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.76 142.7 35.16 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.051 0.94 . . . . 0.0 111.466 -174.604 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 6.33 3.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 114.959 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.26 166.98 11.3 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.449 1.5 . . . . 0.0 109.173 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -84.63 135.07 34.33 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.56 -1.338 . . . . 0.0 111.789 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -102.22 104.69 38.48 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -87.1 151.18 8.21 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.793 2.329 . . . . 0.0 114.966 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.58 164.23 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.083 3.188 . . . . 0.0 110.613 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.2 -41.65 9.81 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.498 3.466 . . . . 0.0 117.023 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -68.14 -54.22 19.58 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.57 1.077 . . . . 0.0 112.102 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.87 -34.02 75.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.2 0.909 . . . . 0.0 111.651 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.96 -42.28 97.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.575 1.15 . . . . 0.0 110.399 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -64.36 -42.88 95.99 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.526 0.73 . . . . 0.0 110.751 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.93 -39.13 88.23 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.393 -0.817 . . . . 0.0 110.931 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -46.01 86.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.985 . . . . 0.0 110.739 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.44 -44.2 89.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.858 . . . . 0.0 111.104 176.147 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.31 -43.99 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 0.0 110.598 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -60.5 -38.7 85.17 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.633 1.173 . . . . 0.0 111.046 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.85 27.24 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.769 1.176 . . . . 0.0 113.033 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -64.77 -25.54 67.97 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.74 -33.26 60.94 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.91 0.777 . . . . 0.0 112.105 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.77 -33.27 35.08 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.869 0.867 . . . . 0.0 112.438 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -64.52 -37.87 89.06 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.401 1.0 . . . . 0.0 110.309 175.561 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.28 -39.29 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.685 1.194 . . . . 0.0 111.06 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -160.44 116.09 2.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.317 1.447 . . . . 0.0 109.942 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -59.59 -33.69 71.79 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.93 -18.22 63.36 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.029 1.731 . . . . 0.0 114.281 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.913 1.685 . . . . 0.0 113.63 -178.952 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.311 0 O4'-C1'-N19 111.383 3.183 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.601 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 1 O4'-C1'-N19 112.287 4.087 . 0.261 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 112.731 4.531 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 O3'-P-O5' 99.22 -2.516 . 0.065 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.013 0 C5'-C4'-C3' 111.297 -2.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O4'-C1'-N19 111.697 3.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 2 O4'-C1'-N19 112.913 4.713 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.073 1 P-O3'-C3' 125.329 4.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.748 -2.952 . 0.091 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 O4'-C1'-N19 111.133 2.933 . 0.285 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C4'-C3'-C2' 100.185 -2.515 . 0.481 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-C2' 101.662 -3.384 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C4'-C3' 108.961 2.472 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O3'-P-O5' 99.844 -2.187 . 0.343 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.267 0.556 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.6 p -70.35 -16.71 63.01 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.298 -1.501 . . . . 0.0 113.755 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -56.93 -30.0 63.6 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.904 1.282 . . . . 0.0 113.77 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 p-90 -82.04 -12.14 58.44 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 mt -107.36 -15.36 14.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.566 1.546 . . . . 0.0 113.367 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.77 150.4 30.79 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.919 1.236 . . . . 0.0 114.045 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -130.99 147.53 52.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.116 1.766 . . . . 0.0 109.455 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.39 137.62 35.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.584 1.154 . . . . 0.0 113.682 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.52 139.24 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.342 1.457 . . . . 0.0 109.242 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.79 132.61 52.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.938 0.875 . . . . 0.0 112.27 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.0 -37.78 88.56 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.551 1.14 . . . . 0.0 112.012 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.99 -28.68 39.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 112.51 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -63.45 -42.2 98.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.811 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.0 -16.24 63.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.108 1.363 . . . . 0.0 113.192 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -105.6 -5.83 19.79 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.524 1.93 . . . . 0.0 112.927 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.78 28.81 70.18 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.707 1.146 . . . . 0.0 113.52 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.4 p -118.14 -8.95 10.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.68 150.14 46.27 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 119.337 0.972 . . . . 0.0 111.49 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -140.03 59.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.779 1.232 . . . . 0.0 112.656 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.32 148.99 19.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 126.701 2.001 . . . . 0.0 110.727 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.22 159.71 49.03 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.154 1.903 . . . . 0.0 109.644 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -51.84 -31.25 26.9 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.079 0.951 . . . . 0.0 112.716 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -68.69 -22.49 64.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.386 2.275 . . . . 0.0 114.838 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -119.97 -19.06 8.0 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.64 160.24 32.55 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.03 0.919 . . . . 0.0 112.077 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.98 -20.44 61.02 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.986 1.714 . . . . 0.0 113.015 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -132.39 -179.95 5.75 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.467 1.907 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 145.6 25.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -120.14 74.97 22.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.896 2.078 . . . . 0.0 110.227 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.18 165.1 31.45 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.21 3.273 . . . . 0.0 114.224 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -100.09 172.71 7.03 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.592 1.557 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.53 -19.15 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.198 0.999 . . . . 0.0 112.991 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 m -89.22 -15.98 32.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.509 1.523 . . . . 0.0 113.539 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.1 m -73.95 149.99 41.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.996 0.816 . . . . 0.0 111.608 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -79.19 51.38 1.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.48 1.112 . . . . 0.0 112.495 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.65 134.25 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.318 1.447 . . . . 0.0 111.232 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -152.84 134.66 14.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.567 1.147 . . . . 0.0 111.131 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 43.01 38.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.296 1.839 . . . . 0.0 115.404 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.34 76.62 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.046 -1.034 . . . . 0.0 115.002 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -134.86 160.94 36.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.393 2.277 . . . . 0.0 110.626 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.53 140.56 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.14 128.01 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.07 23.58 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.378 0.671 . . . . 0.0 112.132 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.34 110.6 3.62 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.539 1.536 . . . . 0.0 111.487 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -52.51 -48.04 66.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.163 1.785 . . . . 0.0 111.173 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.78 -40.48 95.34 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.946 -0.472 . . . . 0.0 111.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.0 t -68.18 -40.78 82.17 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.141 -0.975 . . . . 0.0 111.721 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 79' ' ' LEU . 54.2 mt -59.05 -32.94 70.21 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 112.071 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -83.62 0.21 47.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.17 1.388 . . . . 0.0 112.78 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 8.53 66.92 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.476 1.989 . . . . 0.0 117.138 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -154.97 90.66 1.3 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.449 1.625 . . . . 0.0 112.224 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 t -55.23 144.08 25.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.161 0.984 . . . . 0.0 110.521 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.48 1.046 0 C-N-CA 124.733 1.213 . . . . 0.0 113.531 -177.627 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.55 0.952 0 CA-C-O 122.717 1.246 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -77.37 -7.67 56.45 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -89.97 169.51 11.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.021 1.328 . . . . 0.0 112.628 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.7 135.15 34.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.862 1.265 . . . . 0.0 111.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.7 104.7 40.4 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -88.42 162.08 6.75 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 123.352 2.701 . . . . 0.0 112.132 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.85 159.57 50.2 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.346 2.697 . . . . 0.0 111.912 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.91 -41.5 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.891 3.727 . . . . 0.0 116.708 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -64.17 -43.1 96.18 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.292 -0.88 . . . . 0.0 112.063 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.67 -33.54 66.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.496 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.45 -44.07 89.07 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.829 1.195 . . . . 0.0 109.75 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.1 m -63.71 -45.14 91.32 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.735 0.814 . . . . 0.0 111.382 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.6 -39.14 90.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.158 0.89 . . . . 0.0 111.284 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 57' ' ' LEU . 2.3 tm? -65.92 -46.14 79.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.724 0.809 . . . . 0.0 110.682 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.59 -35.91 81.05 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.056 -1.028 . . . . 0.0 111.948 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.66 -42.33 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.653 1.115 . . . . 0.0 109.957 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.63 -40.39 96.85 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.648 -0.658 . . . . 0.0 111.287 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.175 0 C-N-CA 123.797 0.713 . . . . 0.0 111.649 176.153 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 122.005 0.907 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -61.98 -17.27 56.46 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -59.18 -24.37 63.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -83.33 -20.53 34.17 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.69 -16.16 21.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.806 1.642 . . . . 0.0 113.102 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -79.71 149.01 31.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.71 1.596 . . . . 0.0 114.252 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -135.98 137.65 41.48 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.75 2.02 . . . . 0.0 108.978 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -75.66 144.79 41.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 113.703 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -88.01 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.161 2.184 . . . . 0.0 110.803 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.79 134.53 55.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.492 1.117 . . . . 0.0 113.062 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.49 -37.44 87.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 112.348 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.58 -31.52 41.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.116 0.966 . . . . 0.0 111.82 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.63 -42.26 99.49 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -63.55 -16.37 60.61 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.039 1.335 . . . . 0.0 113.404 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -109.21 -0.0 19.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.033 2.133 . . . . 0.0 112.829 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 25.1 75.58 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.01 1.29 . . . . 0.0 114.549 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 p -110.16 -15.29 14.04 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.96 140.1 47.17 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.425 1.012 . . . . 0.0 109.794 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -140.04 59.88 1.56 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.15 0.98 . . . . 0.0 113.589 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -158.47 155.69 25.95 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.54 159.41 52.91 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.134 1.889 . . . . 0.0 111.594 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.66 -38.31 54.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.084 1.354 . . . . 0.0 112.077 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m -61.56 -28.01 69.03 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 113.737 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -97.31 -30.44 12.96 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.647 1.179 . . . . 0.0 112.287 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -74.21 170.02 16.4 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.057 0.932 . . . . 0.0 112.946 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -90.86 -13.39 33.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.803 1.641 . . . . 0.0 113.111 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -136.15 -179.87 5.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.52 1.928 . . . . 0.0 112.175 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.77 147.46 23.8 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -120.12 68.89 13.66 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 127.56 2.344 . . . . 0.0 111.614 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.75 165.13 33.49 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.378 3.385 . . . . 0.0 114.458 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -95.33 169.47 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.836 1.255 . . . . 0.0 111.38 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -19.81 57.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.306 1.043 . . . . 0.0 113.772 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -91.65 -13.53 31.67 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.632 1.573 . . . . 0.0 113.791 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -72.47 158.93 34.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.005 0.82 . . . . 0.0 112.513 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.74 39.95 0.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.165 2.186 . . . . 0.0 113.137 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.7 130.14 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.321 1.448 . . . . 0.0 111.748 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -153.97 139.72 18.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.827 1.251 . . . . 0.0 111.177 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.9 t30 43.8 31.95 0.54 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.599 1.959 . . . . 0.0 115.394 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 10.48 69.37 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 120.782 -1.199 . . . . 0.0 115.951 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 167.2 22.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.999 1.9 . . . . 0.0 112.323 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.77 140.58 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.444 1.097 . . . . 0.0 108.659 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mt -76.57 128.23 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 149.35 32.97 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.033 0.933 . . . . 0.0 113.02 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.95 112.48 7.15 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.515 1.526 . . . . 0.0 111.39 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.08 -46.27 85.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.961 1.305 . . . . 0.0 111.477 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -64.09 -39.26 93.66 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.654 -0.654 . . . . 0.0 112.018 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 t -67.22 -39.73 86.29 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.29 -0.881 . . . . 0.0 111.535 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -59.93 -33.03 71.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.123 0.969 . . . . 0.0 111.99 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.62 0.02 40.37 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.131 1.372 . . . . 0.0 112.84 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 5.96 69.89 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.247 1.88 . . . . 0.0 117.034 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.71 90.51 1.48 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.345 1.573 . . . . 0.0 110.938 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.89 129.7 43.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.052 0.941 . . . . 0.0 110.468 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 124.737 1.215 . . . . 0.0 113.783 -176.902 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.546 0.825 0 CA-C-O 121.919 0.866 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -130.84 2.15 4.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 127.547 2.339 . . . . 0.0 112.615 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.02 167.56 12.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.415 1.886 . . . . 0.0 111.764 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.4 tp -84.62 135.29 34.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.182 0.993 . . . . 0.0 111.791 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -98.18 104.73 24.32 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.63 150.79 13.04 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.913 2.409 . . . . 0.0 113.547 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.1 158.94 48.57 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.818 3.012 . . . . 0.0 110.95 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.29 -40.36 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 124.307 3.338 . . . . 0.0 116.24 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.75 -28.37 67.57 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.0 -28.82 23.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.135 0.88 . . . . 0.0 111.189 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -55.37 -35.14 64.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.641 0.655 . . . . 0.0 111.058 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.7 m -58.65 -46.21 87.66 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.302 0.641 . . . . 0.0 112.242 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.39 -36.51 79.24 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.313 -0.867 . . . . 0.0 110.507 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -44.04 97.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.749 . . . . 0.0 110.541 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.96 -44.14 93.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.195 -0.941 . . . . 0.0 111.774 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.09 -48.81 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.761 0.824 . . . . 0.0 110.472 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.1 -46.75 88.55 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 110.823 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 C-N-CA 124.632 1.111 . . . . 0.0 112.408 176.723 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 CA--C 1.545 0.762 0 CA-C-O 121.548 0.69 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.2 p -57.11 -18.2 13.87 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.7 -29.45 66.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.515 1.126 . . . . 0.0 113.511 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -83.92 -16.23 45.02 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.442 0.564 . . . . 0.0 112.288 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.48 -17.22 21.65 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.584 1.554 . . . . 0.0 113.057 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -79.78 147.66 31.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 114.038 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.9 mt -130.03 143.38 50.76 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.898 2.079 . . . . 0.0 109.069 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.57 143.87 51.42 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.92 137.83 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.474 1.11 . . . . 0.0 109.27 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.34 131.48 50.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.557 1.143 . . . . 0.0 112.3 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -67.68 -39.45 84.46 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.077 0.951 . . . . 0.0 111.645 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.26 -28.67 64.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.185 0.594 . . . . 0.0 111.654 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.34 -42.54 83.4 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.815 -1.178 . . . . 0.0 110.348 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.29 -38.68 90.98 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.223 1.009 . . . . 0.0 111.233 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.33 -20.37 62.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.516 1.527 . . . . 0.0 112.864 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.06 36.91 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.206 1.384 . . . . 0.0 113.329 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -122.32 -14.6 7.85 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.589 1.556 . . . . 0.0 114.802 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.55 141.44 53.82 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.602 1.092 . . . . 0.0 110.933 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -139.94 59.77 1.57 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.573 1.149 . . . . 0.0 112.539 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -150.25 151.5 31.65 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 127.091 2.156 . . . . 0.0 110.362 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.33 158.9 50.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 122.181 1.921 . . . . 0.0 110.577 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -51.63 -33.2 32.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.396 1.078 . . . . 0.0 112.185 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 -23.43 67.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.827 2.451 . . . . 0.0 114.997 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -116.53 -23.76 8.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.59 161.17 31.12 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 122.099 0.952 . . . . 0.0 112.497 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.35 -20.5 58.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.949 1.7 . . . . 0.0 113.044 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -133.49 -179.78 5.73 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.329 1.852 . . . . 0.0 112.178 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 145.92 24.81 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -119.98 76.42 22.23 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.154 2.182 . . . . 0.0 110.875 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -69.93 165.08 32.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.53 2.82 . . . . 0.0 114.61 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.65 169.42 8.48 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.661 1.984 . . . . 0.0 110.274 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -55.81 -31.66 62.87 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -84.89 -14.17 48.64 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 114.337 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.1 m -69.36 148.37 49.75 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.184 0.902 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -80.45 61.53 4.23 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.958 0.885 . . . . 0.0 112.076 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -66.46 135.02 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 108.511 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -146.96 119.82 8.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.3 1.44 . . . . 0.0 111.249 -174.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.0 t30 43.35 43.43 4.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.013 1.725 . . . . 0.0 114.366 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.83 18.91 78.39 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 121.197 -0.939 . . . . 0.0 115.087 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -128.88 170.03 13.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.396 2.279 . . . . 0.0 109.381 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.66 135.06 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.37 128.1 35.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.68 151.99 24.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.637 0.775 . . . . 0.0 112.347 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.98 111.35 9.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.109 1.364 . . . . 0.0 110.217 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.03 -46.43 75.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.234 1.014 . . . . 0.0 110.919 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.41 -39.6 91.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.958 0.503 . . . . 0.0 111.957 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 t -70.33 -37.65 74.72 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.921 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.69 -28.46 68.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.367 1.067 . . . . 0.0 111.923 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.05 0.52 57.52 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.421 1.488 . . . . 0.0 112.762 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 9.55 65.46 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 126.283 1.897 . . . . 0.0 117.737 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -154.26 89.54 1.29 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.917 1.858 . . . . 0.0 112.479 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -51.25 133.99 28.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.009 1.323 . . . . 0.0 110.582 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -172.49 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.3 t . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 122.578 1.18 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -132.86 8.73 4.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.02 2.528 . . . . 0.0 114.009 -171.092 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -101.03 169.05 9.21 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.316 1.846 . . . . 0.0 111.359 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.58 135.17 34.31 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.115 -0.99 . . . . 0.0 111.334 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -101.68 104.63 36.07 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.89 152.05 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.481 2.12 . . . . 0.0 113.15 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.75 162.29 41.88 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.262 2.642 . . . . 0.0 110.806 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.85 -40.25 8.1 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.638 3.559 . . . . 0.0 116.781 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.17 -52.23 43.95 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.421 1.009 . . . . 0.0 112.73 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.19 -35.99 81.89 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.439 -0.788 . . . . 0.0 111.607 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -58.41 -46.54 86.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.45 1.5 . . . . 0.0 110.135 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -64.41 -42.66 95.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.317 0.647 . . . . 0.0 111.269 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.12 -38.45 88.98 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.329 0.968 . . . . 0.0 111.192 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.84 -49.67 73.98 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.848 0.859 . . . . 0.0 110.408 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.13 -39.19 89.08 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.608 -0.682 . . . . 0.0 112.094 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.48 -46.35 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.717 0.807 . . . . 0.0 110.196 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.19 -41.61 99.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.231 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 C-N-CA 124.109 0.861 . . . . 0.0 112.098 176.572 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t0 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -69.92 -14.53 62.76 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.936 -1.728 . . . . 0.0 114.533 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -59.46 -28.91 67.41 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.221 1.008 . . . . 0.0 113.403 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -86.44 -16.55 36.83 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.165 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.91 -14.42 23.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.79 1.636 . . . . 0.0 113.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.85 147.14 31.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.418 1.463 . . . . 0.0 114.071 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.3 mt -130.51 149.24 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.032 2.133 . . . . 0.0 110.099 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.95 139.18 31.43 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.785 1.234 . . . . 0.0 113.943 -175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.13 139.89 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 110.642 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.54 125.43 23.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.707 0.803 . . . . 0.0 111.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.0 -29.74 70.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.624 0.77 . . . . 0.0 112.868 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.3 -37.25 60.93 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.449 0.568 . . . . 0.0 110.136 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.83 -41.07 96.03 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.555 -1.341 . . . . 0.0 110.612 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.06 -18.99 50.7 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.967 1.707 . . . . 0.0 112.732 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -111.29 0.07 16.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.707 2.003 . . . . 0.0 113.278 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.73 30.08 68.8 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.013 1.292 . . . . 0.0 114.752 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -119.88 -7.85 9.92 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -176.536 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.91 146.54 49.49 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.599 1.09 . . . . 0.0 111.36 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -139.93 59.79 1.57 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.948 1.299 . . . . 0.0 111.916 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -150.45 150.44 28.88 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.93 2.092 . . . . 0.0 110.093 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.13 151.22 49.23 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 122.175 1.917 . . . . 0.0 110.36 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -51.69 -34.0 36.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.455 1.102 . . . . 0.0 112.709 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -64.61 -23.25 67.2 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.423 1.889 . . . . 0.0 114.42 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -120.0 -20.97 7.28 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.68 146.6 51.47 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 118.814 0.734 . . . . 0.0 110.345 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -66.39 -10.16 40.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -136.58 -179.95 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.507 1.923 . . . . 0.0 111.549 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 146.87 24.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.977 0.911 . . . . 0.0 113.195 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -120.11 74.43 21.03 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.107 2.163 . . . . 0.0 109.823 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.4 165.11 32.76 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.968 3.112 . . . . 0.0 114.724 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.9 m -105.45 168.44 9.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.928 1.691 . . . . 0.0 110.582 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -55.58 -25.44 38.28 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -77.17 -14.82 59.72 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.357 1.463 . . . . 0.0 114.09 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -81.13 158.75 24.88 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.206 1.002 . . . . 0.0 112.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -80.54 51.08 1.4 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.501 1.121 . . . . 0.0 112.411 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.13 118.91 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.062 1.345 . . . . 0.0 111.222 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.39 138.96 17.77 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.503 1.121 . . . . 0.0 110.878 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 44.91 34.5 1.24 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.022 1.729 . . . . 0.0 114.97 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 24.42 72.0 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 120.868 -1.145 . . . . 0.0 114.617 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -136.0 160.05 39.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.373 2.269 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.76 140.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.599 1.16 . . . . 0.0 109.006 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -77.5 126.66 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.0 152.11 24.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.451 0.7 . . . . 0.0 112.241 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.97 110.21 7.1 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.126 1.37 . . . . 0.0 110.43 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.47 -40.24 82.17 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.196 -0.94 . . . . 0.0 111.666 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -62.89 -39.74 95.41 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.711 -0.618 . . . . 0.0 111.31 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -68.81 -40.22 79.66 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.055 -1.028 . . . . 0.0 111.681 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.71 -33.01 72.24 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.168 -0.957 . . . . 0.0 111.188 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -78.04 -6.95 56.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.091 1.757 . . . . 0.0 112.466 174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 10.86 64.09 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 127.026 2.251 . . . . 0.0 117.006 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -156.34 93.97 1.45 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.133 1.466 . . . . 0.0 111.447 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -56.28 139.48 48.02 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.723 1.209 . . . . 0.0 110.348 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -174.972 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 CA--C 1.546 0.818 0 CA-C-O 121.236 0.541 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 19.58 3.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.58 170.09 8.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.331 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -84.67 135.16 34.28 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.931 -1.106 . . . . 0.0 111.964 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -101.33 104.71 35.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -82.25 153.01 16.18 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.617 2.212 . . . . 0.0 114.566 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.74 161.1 39.99 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.0 3.134 . . . . 0.0 110.177 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -44.39 -43.14 13.8 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.13 3.22 . . . . 0.0 116.733 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -65.16 -43.83 90.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.259 0.936 . . . . 0.0 113.121 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -76.66 -32.33 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.596 0.758 . . . . 0.0 110.989 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.29 -37.49 85.72 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.262 1.425 . . . . 0.0 110.406 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -64.88 -43.4 93.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.298 0.639 . . . . 0.0 110.512 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -61.97 -36.08 80.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.822 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.13 -50.38 66.26 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.497 0.719 . . . . 0.0 111.155 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.79 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.888 1.222 . . . . 0.0 112.648 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.01 -44.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.499 -0.751 . . . . 0.0 109.485 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -39.31 92.63 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.533 -0.73 . . . . 0.0 110.594 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.638 0 C-N-CA 124.861 1.219 . . . . 0.0 111.684 178.522 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.198 0.523 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -60.18 -17.18 39.17 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -50.46 -32.85 19.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.053 1.741 . . . . 0.0 114.879 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -86.42 -25.08 25.44 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.749 0.704 . . . . 0.0 112.325 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -82.94 -17.75 42.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.285 1.434 . . . . 0.0 112.653 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.84 144.29 33.61 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -133.47 136.35 45.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.088 2.155 . . . . 0.0 109.398 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.66 143.71 57.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.74 140.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.216 1.806 . . . . 0.0 109.78 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.29 126.52 27.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.231 1.013 . . . . 0.0 112.092 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.41 -41.09 88.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.29 1.036 . . . . 0.0 111.544 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.54 -28.94 63.15 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.342 0.657 . . . . 0.0 111.582 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.84 -43.46 71.89 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.935 -1.103 . . . . 0.0 110.012 174.385 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.4 -38.99 89.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.219 1.008 . . . . 0.0 111.02 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -72.51 -18.02 61.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.46 1.504 . . . . 0.0 113.033 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.73 38.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.196 1.379 . . . . 0.0 113.976 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -123.4 -16.88 6.71 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.41 143.36 57.96 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.73 1.15 . . . . 0.0 111.559 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 p -140.12 59.7 1.56 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.728 1.211 . . . . 0.0 112.82 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -148.49 151.6 36.63 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.536 1.935 . . . . 0.0 110.379 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.22 155.97 51.38 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.186 1.924 . . . . 0.0 110.759 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.63 -32.31 41.13 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.347 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -23.75 67.34 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.419 2.288 . . . . 0.0 114.866 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.15 -19.61 7.69 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.04 162.91 28.61 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 122.063 0.935 . . . . 0.0 112.359 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.82 -14.95 59.86 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.913 1.685 . . . . 0.0 114.483 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -142.19 -179.82 6.47 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.189 2.195 . . . . 0.0 111.449 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 148.62 23.14 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -120.07 79.16 25.68 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 127.062 2.145 . . . . 0.0 110.7 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -67.13 165.15 27.48 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 124.036 3.157 . . . . 0.0 114.926 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -105.48 172.11 6.97 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.87 1.668 . . . . 0.0 111.061 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.7 -24.64 64.13 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.166 0.986 . . . . 0.0 112.821 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -89.41 -12.4 40.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.606 1.562 . . . . 0.0 114.365 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -73.5 142.67 46.75 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.63 1.104 . . . . 0.0 112.242 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -80.53 59.63 3.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.19 0.996 . . . . 0.0 111.443 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.09 138.01 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.477 1.511 . . . . 0.0 109.941 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.31 139.7 19.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.736 1.214 . . . . 0.0 112.188 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.9 t30 42.12 37.38 0.85 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 126.132 1.773 . . . . 0.0 115.453 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.06 77.11 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.932 -1.105 . . . . 0.0 115.277 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.21 162.09 30.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.89 2.076 . . . . 0.0 111.065 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.59 137.59 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.79 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.61 130.02 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.347 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.51 149.9 29.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.956 0.903 . . . . 0.0 112.645 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.31 100.48 4.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.727 1.611 . . . . 0.0 109.358 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 87.0 t80 -52.49 -42.78 64.56 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.904 1.282 . . . . 0.0 112.786 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.18 -32.83 74.32 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.705 -0.622 . . . . 0.0 111.798 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 t -71.94 -35.04 69.49 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.257 -0.902 . . . . 0.0 111.431 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.32 -32.97 69.0 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.121 -0.987 . . . . 0.0 111.645 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' ' CZ ' ' A' ' 54' ' ' PHE . 66.3 mttm -83.83 -0.36 50.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.718 1.607 . . . . 0.0 113.376 176.3 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.4 8.85 82.75 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.693 1.616 . . . . 0.0 116.038 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.84 89.08 1.51 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.23 1.515 . . . . 0.0 111.622 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.7 t -57.97 137.27 56.93 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 109.364 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 -175.468 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 123.522 1.63 . . . . 0.0 113.69 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -118.78 27.75 8.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.704 2.802 . . . . 0.0 112.607 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -129.61 168.75 15.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.342 1.857 . . . . 0.0 113.181 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.77 135.14 34.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.524 1.13 . . . . 0.0 111.824 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -97.98 104.78 23.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.99 149.46 17.65 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.292 1.995 . . . . 0.0 113.415 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.69 161.25 46.65 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.173 2.582 . . . . 0.0 110.514 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.92 -42.18 9.07 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.449 3.432 . . . . 0.0 117.025 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -66.02 -47.39 74.59 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.385 0.993 . . . . 0.0 113.039 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 mt -71.28 -34.48 70.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.529 -0.732 . . . . 0.0 111.34 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -60.54 -43.32 97.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 110.526 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -63.51 -43.05 98.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.474 0.709 . . . . 0.0 110.84 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -61.99 -37.22 84.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.898 0.772 . . . . 0.0 111.073 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -48.81 74.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 110.37 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.13 -39.26 81.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.538 -0.727 . . . . 0.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.08 -46.01 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.594 0.757 . . . . 0.0 110.141 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -39.81 93.99 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.659 -0.65 . . . . 0.0 111.157 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.788 0 C-N-CA 124.513 1.054 . . . . 0.0 110.985 178.184 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -63.26 -18.78 63.94 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.118 -1.613 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.79 -35.51 76.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.183 0.993 . . . . 0.0 113.076 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -76.81 -17.16 59.19 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.888 0.767 . . . . 0.0 112.072 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.7 -17.0 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.54 1.536 . . . . 0.0 113.493 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.75 144.74 33.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.774 1.624 . . . . 0.0 113.559 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.63 144.78 51.66 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.251 1.82 . . . . 0.0 109.31 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -82.7 142.88 31.32 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.37 140.06 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.914 1.686 . . . . 0.0 110.103 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.37 128.45 37.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.006 0.922 . . . . 0.0 112.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.65 -33.44 71.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.513 1.125 . . . . 0.0 112.828 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.92 -30.88 40.12 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.565 0.746 . . . . 0.0 111.377 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.83 -39.19 90.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.709 -1.244 . . . . 0.0 110.507 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.01 -16.27 50.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.605 1.162 . . . . 0.0 113.367 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -111.52 0.08 16.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.719 2.008 . . . . 0.0 112.653 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.97 77.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.957 1.265 . . . . 0.0 114.744 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.5 p -104.2 -23.66 13.23 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.714 1.257 . . . . 0.0 114.03 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.56 130.83 43.52 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.458 1.027 . . . . 0.0 109.545 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -137.28 59.78 1.67 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.034 0.934 . . . . 0.0 112.568 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -151.62 155.46 34.12 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.825 2.45 . . . . 0.0 109.46 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.25 153.27 71.51 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.179 1.919 . . . . 0.0 111.163 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.09 -28.7 54.47 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.032 0.933 . . . . 0.0 113.409 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -65.5 -31.87 73.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.69 1.196 . . . . 0.0 112.423 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.54 -37.56 16.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.683 1.193 . . . . 0.0 111.359 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.05 170.07 12.14 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.658 1.183 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -95.5 -5.57 42.56 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.657 1.583 . . . . 0.0 114.401 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.51 -179.96 6.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.702 2.001 . . . . 0.0 111.277 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 147.06 23.99 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.366 -0.834 . . . . 0.0 112.992 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.08 77.67 24.28 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.391 1.876 . . . . 0.0 110.025 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -67.09 165.14 27.46 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.151 3.234 . . . . 0.0 114.298 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -105.4 167.84 9.48 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.872 1.669 . . . . 0.0 110.776 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -55.7 -25.98 42.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -82.08 -21.65 36.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.27 1.428 . . . . 0.0 113.486 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.5 m -69.08 141.51 54.72 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.454 -0.779 . . . . 0.0 110.374 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -82.2 58.06 3.85 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.149 0.975 . . . . 0.0 111.966 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.84 134.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.503 1.921 . . . . 0.0 110.201 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -150.13 129.75 13.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.409 1.084 . . . . 0.0 112.051 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 44.21 38.0 2.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.106 1.763 . . . . 0.0 115.381 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.1 11.14 81.63 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -134.95 166.4 23.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.257 1.823 . . . . 0.0 110.998 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.65 139.44 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -74.89 126.0 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 152.1 26.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.565 0.746 . . . . 0.0 112.541 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.3 t -71.0 110.47 5.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.917 1.287 . . . . 0.0 110.934 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.43 -40.28 86.24 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.901 1.28 . . . . 0.0 111.608 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.31 -42.99 92.45 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 111.182 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -66.58 -37.89 85.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.282 -0.886 . . . . 0.0 111.942 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -33.03 72.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.56 1.144 . . . . 0.0 112.16 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.54 3.34 37.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.797 1.239 . . . . 0.0 112.756 174.222 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 7.67 67.93 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.314 1.911 . . . . 0.0 117.408 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -153.16 89.26 1.35 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.836 1.818 . . . . 0.0 112.795 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.72 130.26 45.61 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 109.594 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 p . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.916 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 121.523 0.678 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.11 9.83 3.83 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.149 2.18 . . . . 0.0 113.877 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -89.93 170.21 10.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.549 1.939 . . . . 0.0 111.83 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.63 135.12 34.31 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.065 -1.022 . . . . 0.0 111.05 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -100.36 104.78 32.33 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -77.5 162.42 30.55 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.542 2.161 . . . . 0.0 113.558 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.54 158.24 56.51 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.953 2.435 . . . . 0.0 109.781 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.39 -41.93 17.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.148 3.232 . . . . 0.0 116.23 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -66.37 -42.22 88.29 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.403 -0.811 . . . . 0.0 113.001 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 45.5 mt -72.26 -35.81 68.87 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.917 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -58.62 -44.0 89.85 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.636 1.107 . . . . 0.0 110.143 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 m -62.99 -44.87 94.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.051 0.54 . . . . 0.0 111.06 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -62.08 -41.89 98.64 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.198 0.908 . . . . 0.0 111.005 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -48.21 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.672 1.189 . . . . 0.0 110.507 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.7 -33.22 75.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.465 -0.772 . . . . 0.0 112.77 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.26 -46.4 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.417 1.008 . . . . 0.0 109.621 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -59.42 -43.36 93.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.851 0.86 . . . . 0.0 110.288 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 C-N-CA 124.698 1.142 . . . . 0.0 112.008 176.947 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.4 t0 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.151 0.501 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -56.04 -13.77 2.16 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.93 -30.8 66.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.658 1.183 . . . . 0.0 112.961 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -82.64 -26.51 32.12 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.646 . . . . 0.0 112.028 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -83.69 -14.84 50.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.949 1.3 . . . . 0.0 112.589 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 149.02 31.12 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.471 1.487 . . . . 0.0 114.11 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -132.52 139.77 48.04 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.548 2.339 . . . . 0.0 108.561 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -71.51 148.04 47.14 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.956 0.884 . . . . 0.0 113.36 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -98.45 140.0 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.255 1.822 . . . . 0.0 110.178 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.32 133.17 55.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.662 0.785 . . . . 0.0 112.105 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -66.96 -42.62 84.87 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.322 -0.861 . . . . 0.0 111.897 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.19 -30.36 70.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.471 0.708 . . . . 0.0 111.758 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.64 -40.39 92.45 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.25 -31.98 72.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.124 0.97 . . . . 0.0 111.711 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -79.67 -14.64 58.64 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 0.0 112.753 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.18 43.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.157 1.36 . . . . 0.0 113.618 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -122.15 -13.9 8.06 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.37 147.04 53.89 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 119.865 1.211 . . . . 0.0 111.422 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -140.09 59.8 1.56 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.467 1.107 . . . . 0.0 113.87 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -153.11 151.64 26.44 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 126.492 1.917 . . . . 0.0 111.086 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.75 157.07 52.55 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.895 1.73 . . . . 0.0 108.601 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.04 -28.13 36.56 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.074 -1.017 . . . . 0.0 113.442 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -64.66 -26.95 68.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.948 1.699 . . . . 0.0 113.389 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -113.68 -16.41 12.32 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.563 1.145 . . . . 0.0 113.933 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.5 t -79.79 170.09 17.01 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -82.12 -15.71 52.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.261 1.424 . . . . 0.0 113.729 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -139.61 -179.72 6.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.637 1.975 . . . . 0.0 112.075 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.6 148.38 23.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.438 -0.789 . . . . 0.0 112.733 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -120.28 81.21 29.46 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.584 1.954 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.26 165.03 30.09 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 124.238 3.292 . . . . 0.0 114.991 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.3 m -105.38 166.86 10.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.949 1.7 . . . . 0.0 110.02 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -55.61 -30.49 60.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.448 1.099 . . . . 0.0 113.672 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.1 m -78.41 -13.98 59.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.722 1.609 . . . . 0.0 114.568 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -77.78 149.02 34.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.565 1.075 . . . . 0.0 112.266 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -79.05 61.75 3.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.103 0.961 . . . . 0.0 111.889 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.09 130.16 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.65 1.18 . . . . 0.0 109.438 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -150.79 136.19 17.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.327 1.451 . . . . 0.0 111.38 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.2 33.16 3.48 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.798 1.639 . . . . 0.0 114.959 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.256 -0.903 . . . . 0.0 113.672 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 mtm-85 -139.01 170.12 16.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.702 2.401 . . . . 0.0 111.153 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.41 138.14 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 51' ' ' ILE . 3.6 mp -72.52 125.28 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.14 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.86 151.9 38.96 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.574 -0.704 . . . . 0.0 112.494 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.04 101.8 7.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.703 1.601 . . . . 0.0 110.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -36.95 74.16 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.995 -1.066 . . . . 0.0 110.346 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -40.0 69.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.654 1.582 . . . . 0.0 110.823 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t -76.04 -41.82 49.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.281 1.432 . . . . 0.0 112.937 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.87 -33.13 68.37 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.86 1.209 . . . . 0.0 111.708 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -81.15 -5.02 57.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.965 1.306 . . . . 0.0 113.288 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.8 25.98 59.38 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 117.226 1.65 . . . . 0.0 117.226 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.43 26.75 1.04 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 t -44.7 121.84 2.89 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 113.001 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -175.997 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 122.096 0.95 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -129.07 14.13 6.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.467 2.307 . . . . 0.0 114.365 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -112.46 166.75 11.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.607 1.563 . . . . 0.0 111.42 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.76 135.1 34.27 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.943 -1.098 . . . . 0.0 111.963 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -95.52 104.93 17.48 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.04 141.97 15.16 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.488 2.126 . . . . 0.0 115.082 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.21 163.85 35.58 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 123.837 3.025 . . . . 0.0 109.935 171.536 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -42.92 -42.82 9.25 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.681 3.587 . . . . 0.0 117.433 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -66.3 -37.6 85.79 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.077 -1.014 . . . . 0.0 112.704 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.36 -28.18 41.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.499 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -39.48 79.94 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.32 1.418 . . . . 0.0 110.141 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -65.83 -44.43 85.59 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.104 0.561 . . . . 0.0 110.602 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -60.42 -43.46 96.73 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 111.12 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.11 -47.28 85.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.644 1.578 . . . . 0.0 110.012 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.09 -45.75 93.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.38 0.672 . . . . 0.0 111.577 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.14 -46.81 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.94 0.896 . . . . 0.0 110.654 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -59.89 -44.25 94.33 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.956 0.902 . . . . 0.0 110.681 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.895 0 C-N-CA 124.685 1.136 . . . . 0.0 112.771 176.645 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -54.45 -17.15 2.81 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.39 -28.85 69.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.54 1.136 . . . . 0.0 112.605 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -85.57 -25.61 26.62 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.925 0.784 . . . . 0.0 112.043 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.81 -18.73 39.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.702 1.201 . . . . 0.0 113.247 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.97 152.21 29.63 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.227 1.376 . . . . 0.0 114.238 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.01 151.66 51.01 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.587 1.955 . . . . 0.0 109.134 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -93.22 139.54 30.5 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.346 1.058 . . . . 0.0 113.241 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -82.93 140.05 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.797 1.639 . . . . 0.0 110.324 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.0 t -58.63 132.91 55.22 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.166 0.986 . . . . 0.0 111.819 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -65.77 -43.62 88.26 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.14 -0.975 . . . . 0.0 111.351 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.87 -25.57 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.338 0.655 . . . . 0.0 112.028 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -70.69 -44.57 66.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.698 -1.251 . . . . 0.0 110.369 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.37 -36.87 85.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.25 -19.42 63.13 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.758 2.023 . . . . 0.0 112.919 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 31.46 39.17 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.297 1.427 . . . . 0.0 114.112 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 p -128.93 -14.19 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -61.09 140.31 57.9 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.048 1.295 . . . . 0.0 111.399 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -137.52 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 111.774 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -147.84 147.43 27.02 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 126.922 2.089 . . . . 0.0 109.897 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.25 152.37 55.69 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 122.039 1.826 . . . . 0.0 110.198 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -52.27 -32.77 38.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.473 1.109 . . . . 0.0 112.866 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -67.41 -19.92 65.45 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.17 2.188 . . . . 0.0 114.359 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -119.96 -25.11 5.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.658 1.183 . . . . 0.0 113.493 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.64 151.96 46.01 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.495 0.664 . . . . 0.0 111.692 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -69.12 -12.61 61.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.458 1.503 . . . . 0.0 114.62 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -138.59 -179.95 6.11 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.213 1.805 . . . . 0.0 111.988 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.21 24.63 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -120.09 72.25 17.7 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 126.989 2.116 . . . . 0.0 110.437 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.07 165.07 31.46 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.861 3.041 . . . . 0.0 113.363 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -105.45 176.99 4.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.626 1.17 . . . . 0.0 111.918 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.1 -25.44 63.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.333 1.453 . . . . 0.0 113.967 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m -79.34 -18.46 52.44 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.528 1.531 . . . . 0.0 113.718 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.6 m -79.25 148.99 31.99 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.998 0.817 . . . . 0.0 111.698 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 46.87 0.43 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.829 1.252 . . . . 0.0 113.207 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.42 128.11 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.036 1.334 . . . . 0.0 111.295 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -150.13 132.95 15.99 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 111.283 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.9 t30 45.33 37.92 3.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.903 1.681 . . . . 0.0 115.04 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.45 13.77 83.19 Favored Glycine 0 CA--C 1.537 1.425 0 O-C-N 121.149 -0.97 . . . . 0.0 115.206 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -129.7 160.35 33.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.287 1.835 . . . . 0.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.23 138.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -79.19 129.15 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.37 152.03 30.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.611 0.764 . . . . 0.0 112.438 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.8 106.12 6.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.087 1.355 . . . . 0.0 110.48 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.71 -40.6 84.18 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.374 -0.829 . . . . 0.0 110.808 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.38 -44.5 95.56 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.738 -0.601 . . . . 0.0 111.192 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -66.59 -40.36 88.86 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.13 -0.981 . . . . 0.0 111.827 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.05 -33.11 72.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.196 0.998 . . . . 0.0 111.515 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -75.95 -5.7 47.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.527 1.531 . . . . 0.0 112.409 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.04 10.02 64.99 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.957 2.217 . . . . 0.0 115.918 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -155.65 92.52 1.39 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.041 1.421 . . . . 0.0 112.294 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -52.95 143.77 16.35 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.571 1.149 . . . . 0.0 110.237 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -173.332 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 121.078 0.466 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -131.71 -3.79 3.69 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.936 1.695 . . . . 0.0 115.332 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -89.95 168.9 11.66 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.497 1.119 . . . . 0.0 110.478 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 tp -84.68 135.11 34.29 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.128 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -101.19 104.8 35.32 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 147.98 13.37 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.461 2.107 . . . . 0.0 113.962 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.02 161.42 44.83 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 109.86 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.0 -40.87 8.9 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.492 3.462 . . . . 0.0 116.699 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -67.49 -46.81 71.84 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.118 1.326 . . . . 0.0 113.124 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.34 -34.0 70.12 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.318 -0.864 . . . . 0.0 110.894 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -61.55 -38.25 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.299 1.44 . . . . 0.0 111.033 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -66.89 -41.75 86.67 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.528 0.731 . . . . 0.0 110.342 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.12 -40.82 97.2 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.477 -0.764 . . . . 0.0 110.477 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -48.67 80.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.569 1.548 . . . . 0.0 110.293 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -57.32 -45.89 83.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.414 1.086 . . . . 0.0 111.745 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.56 -45.24 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.911 0.884 . . . . 0.0 110.754 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -65.11 -32.77 74.64 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.637 -0.664 . . . . 0.0 112.523 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 C-N-CA 124.048 0.832 . . . . 0.0 114.125 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.23 -17.45 53.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.849 -1.782 . . . . 0.0 114.009 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -27.64 68.4 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.941 -1.099 . . . . 0.0 113.853 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.4 -10.94 59.77 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.578 0.626 . . . . 0.0 111.761 173.156 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.98 -14.16 14.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.297 1.839 . . . . 0.0 113.462 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -79.9 150.9 30.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.471 1.487 . . . . 0.0 113.879 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -133.93 141.81 47.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.615 1.966 . . . . 0.0 109.722 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -74.51 139.1 43.59 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.093 1.357 . . . . 0.0 114.053 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -84.96 140.06 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.642 1.977 . . . . 0.0 110.543 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.88 131.96 51.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.774 1.273 . . . . 0.0 112.536 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.7 -35.62 77.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.272 1.429 . . . . 0.0 111.413 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.78 -29.49 50.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.25 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -65.97 -43.14 88.74 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.815 -1.178 . . . . 0.0 110.17 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.52 -33.9 76.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.183 0.993 . . . . 0.0 111.61 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -73.3 -17.36 61.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.066 1.347 . . . . 0.0 112.336 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.17 28.18 50.11 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.199 1.381 . . . . 0.0 113.336 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -118.2 -21.61 8.1 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.31 134.46 46.78 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.871 1.214 . . . . 0.0 110.667 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 p -140.12 59.79 1.56 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.714 1.205 . . . . 0.0 112.957 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -148.91 155.36 40.69 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 126.005 1.722 . . . . 0.0 111.679 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.15 158.55 57.32 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.478 2.119 . . . . 0.0 109.986 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.81 -32.44 44.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 113.599 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -67.52 -30.35 69.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.061 1.344 . . . . 0.0 114.343 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -93.56 0.02 56.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.233 1.413 . . . . 0.0 112.223 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -116.67 170.15 8.81 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.463 1.905 . . . . 0.0 111.934 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -99.67 -5.19 29.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.59 1.556 . . . . 0.0 114.81 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.53 -179.89 6.42 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.38 1.872 . . . . 0.0 111.716 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.8 148.15 23.38 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -120.2 71.64 17.31 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 127.403 2.281 . . . . 0.0 112.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -73.67 165.15 33.05 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.669 3.579 . . . . 0.0 114.784 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -96.3 169.69 9.76 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.148 1.379 . . . . 0.0 111.132 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.14 -20.55 58.93 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -91.63 -12.13 35.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 114.052 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -72.92 163.28 28.38 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.43 46.3 0.19 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.375 1.87 . . . . 0.0 112.72 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.37 123.68 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.44 139.84 17.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.151 1.38 . . . . 0.0 111.608 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 44.75 35.64 1.53 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.855 1.662 . . . . 0.0 115.258 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 14.28 82.3 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.022 -1.049 . . . . 0.0 115.11 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.53 166.44 21.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.995 2.118 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.61 139.03 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.83 125.19 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.21 151.15 22.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.538 0.735 . . . . 0.0 112.363 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.2 t -69.86 110.39 4.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CE2' ' HE3' ' A' ' 58' ' ' LYS . 2.7 t80 -51.96 -47.25 64.88 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.641 1.577 . . . . 0.0 110.803 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -63.01 -40.8 98.84 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -69.52 -39.12 77.71 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.918 -1.114 . . . . 0.0 112.037 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.94 -26.17 61.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.219 1.408 . . . . 0.0 112.608 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -97.45 2.03 49.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 112.893 176.151 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.23 66.03 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.325 1.917 . . . . 0.0 117.694 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -154.33 92.5 1.51 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.497 1.648 . . . . 0.0 112.048 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -53.8 147.88 11.11 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.462 1.505 . . . . 0.0 111.727 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -175.719 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.363 1.078 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -81.95 -5.57 58.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.454 1.902 . . . . 0.0 115.343 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -90.15 169.71 10.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.775 1.23 . . . . 0.0 114.138 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.73 135.22 34.23 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.253 1.421 . . . . 0.0 110.745 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.2 104.77 31.67 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -83.1 159.02 15.45 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.847 2.365 . . . . 0.0 114.47 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -70.79 158.12 56.49 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.751 2.968 . . . . 0.0 110.71 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -44.61 -42.25 14.5 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 124.494 3.463 . . . . 0.0 116.624 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -66.37 -49.13 67.92 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.036 0.835 . . . . 0.0 112.775 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.91 -35.67 78.87 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.545 -0.722 . . . . 0.0 111.486 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -58.66 -46.22 87.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.482 1.113 . . . . 0.0 110.483 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.9 m -64.08 -44.48 92.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.276 0.63 . . . . 0.0 111.209 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -61.37 -38.28 86.44 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.036 0.835 . . . . 0.0 111.552 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.42 -47.3 79.65 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.023 0.929 . . . . 0.0 110.538 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.15 -39.85 87.8 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.33 -43.69 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.003 0.921 . . . . 0.0 110.312 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.34 -39.09 93.59 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.452 -0.78 . . . . 0.0 111.445 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 175.401 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -53.47 -21.36 6.07 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -62.49 -28.39 69.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.527 1.131 . . . . 0.0 113.654 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -82.36 -13.73 56.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.476 0.58 . . . . 0.0 112.111 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.81 -14.8 15.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 113.532 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 p -79.84 150.25 30.73 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -134.69 138.29 44.29 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.942 2.097 . . . . 0.0 108.622 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.76 148.62 36.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.95 140.01 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 126.55 1.94 . . . . 0.0 110.319 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.77 134.52 56.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.282 1.033 . . . . 0.0 112.215 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.03 -42.09 81.15 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.227 -0.92 . . . . 0.0 111.404 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.75 -30.01 69.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.09 0.556 . . . . 0.0 111.203 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -67.52 -44.39 78.49 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.759 -1.213 . . . . 0.0 110.669 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.24 -35.35 80.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.998 0.919 . . . . 0.0 111.516 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -76.59 -13.14 60.09 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.369 1.468 . . . . 0.0 113.402 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.26 55.68 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.863 1.22 . . . . 0.0 113.974 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -122.4 -18.16 6.83 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.29 133.85 55.69 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.02 1.282 . . . . 0.0 110.299 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -135.81 59.88 1.7 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.306 1.043 . . . . 0.0 113.222 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -158.99 155.86 25.34 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 126.749 2.019 . . . . 0.0 110.435 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.58 156.48 65.4 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.272 1.982 . . . . 0.0 112.888 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.02 -32.58 34.8 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.834 1.654 . . . . 0.0 113.379 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -70.49 -30.33 67.08 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.264 1.425 . . . . 0.0 113.275 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.3 -31.71 16.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.058 0.943 . . . . 0.0 112.483 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.86 156.92 38.33 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.263 1.03 . . . . 0.0 113.361 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -77.33 -11.51 59.84 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.013 1.725 . . . . 0.0 113.886 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -139.22 -179.91 6.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.388 1.875 . . . . 0.0 111.763 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 147.19 23.92 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -120.09 71.89 17.16 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 127.376 2.27 . . . . 0.0 110.615 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.96 165.14 33.61 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.525 3.484 . . . . 0.0 114.613 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 m -98.27 162.78 13.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.495 1.518 . . . . 0.0 110.037 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -55.72 -24.11 32.86 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -83.28 -14.96 51.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.315 1.446 . . . . 0.0 114.178 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.79 165.36 25.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.103 0.865 . . . . 0.0 112.537 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.81 44.28 0.22 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.55 1.54 . . . . 0.0 112.923 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -67.21 125.36 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.247 . . . . 0.0 110.052 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -150.94 129.96 12.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.613 1.165 . . . . 0.0 111.241 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 39.95 34.57 0.19 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.2 10.09 57.53 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -139.31 168.1 20.59 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.635 1.718 . . . . 0.0 112.539 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.42 142.6 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.731 1.212 . . . . 0.0 107.988 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.3 mt -77.81 125.77 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.73 152.0 24.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.805 0.842 . . . . 0.0 112.636 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.3 t -70.42 112.9 7.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.287 1.435 . . . . 0.0 111.135 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.22 -38.84 66.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.112 1.765 . . . . 0.0 111.018 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.32 -32.38 62.82 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.714 -0.616 . . . . 0.0 112.601 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -68.94 -38.77 79.69 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.862 -1.149 . . . . 0.0 110.375 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -23.12 48.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.456 1.903 . . . . 0.0 111.947 173.908 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -104.99 2.83 30.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.701 2.001 . . . . 0.0 113.678 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.56 7.75 75.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 118.28 2.072 . . . . 0.0 118.28 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -154.81 90.0 1.27 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.957 1.879 . . . . 0.0 112.368 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.1 t -51.17 134.03 27.52 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.931 1.292 . . . . 0.0 110.801 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.14 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.893 0.854 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -134.1 -6.76 2.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.288 2.235 . . . . 0.0 114.083 -172.287 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -96.59 170.13 9.41 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.599 1.96 . . . . 0.0 112.583 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.53 135.1 34.36 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.766 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -99.23 104.85 28.89 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.86 158.58 15.93 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.665 2.243 . . . . 0.0 113.96 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.88 160.73 45.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.479 2.786 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -43.73 -41.14 11.44 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.531 3.487 . . . . 0.0 116.508 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -67.5 -49.71 62.21 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.186 0.903 . . . . 0.0 113.022 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -35.56 77.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.085 0.857 . . . . 0.0 111.344 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.55 -47.04 83.11 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.042 1.337 . . . . 0.0 110.392 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -63.61 -43.16 97.69 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.259 0.623 . . . . 0.0 111.06 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -62.53 -35.87 80.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.914 0.779 . . . . 0.0 111.659 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.41 -48.6 77.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.17 0.988 . . . . 0.0 110.211 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.16 -40.33 89.52 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.714 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.72 -48.91 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.503 0.721 . . . . 0.0 110.001 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -59.36 -43.57 92.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 C-N-CA 123.791 0.71 . . . . 0.0 112.05 178.649 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 p -68.77 -15.17 63.43 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 119.914 -1.741 . . . . 0.0 113.476 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.52 -30.45 70.64 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.501 1.121 . . . . 0.0 113.372 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.95 -21.91 43.25 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.726 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.9 mt -91.09 -18.14 25.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.414 1.485 . . . . 0.0 113.343 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -79.81 149.2 31.12 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.606 1.548 . . . . 0.0 114.801 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -134.03 142.86 47.76 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.994 2.118 . . . . 0.0 109.441 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.83 141.74 40.54 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.513 1.125 . . . . 0.0 113.859 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.41 140.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.387 1.875 . . . . 0.0 109.971 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.86 133.42 56.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.064 0.945 . . . . 0.0 112.399 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -64.4 -43.71 93.58 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.95 0.9 . . . . 0.0 111.413 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.38 -31.66 70.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.695 0.798 . . . . 0.0 111.705 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.65 -42.9 95.12 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.874 -1.141 . . . . 0.0 110.882 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.3 -16.17 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.906 1.282 . . . . 0.0 113.267 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -109.2 0.09 19.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.516 1.926 . . . . 0.0 112.962 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 28.72 72.22 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.804 1.193 . . . . 0.0 114.563 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -117.93 -11.96 10.2 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.44 146.1 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.771 1.169 . . . . 0.0 111.089 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.12 59.74 1.56 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.243 1.017 . . . . 0.0 112.413 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -151.48 148.35 22.01 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.788 2.035 . . . . 0.0 110.309 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -72.22 157.34 53.98 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.219 1.946 . . . . 0.0 110.116 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.77 -32.73 32.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 112.318 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -65.54 -23.38 66.85 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.372 2.269 . . . . 0.0 114.828 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -117.47 -25.36 7.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.369 1.067 . . . . 0.0 113.349 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.58 153.78 42.95 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.773 0.797 . . . . 0.0 112.082 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -74.87 -7.54 53.8 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 114.566 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -139.19 -179.94 6.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.527 1.931 . . . . 0.0 111.531 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 144.83 25.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -120.2 70.92 16.2 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.991 2.117 . . . . 0.0 111.413 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.69 165.22 32.85 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.237 3.291 . . . . 0.0 114.537 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -98.95 161.39 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.448 1.499 . . . . 0.0 109.484 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -55.64 -26.06 42.35 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -79.16 -15.97 57.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.475 1.51 . . . . 0.0 114.328 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -76.78 163.28 26.95 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.326 0.966 . . . . 0.0 112.801 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -74.37 51.16 0.43 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.008 1.723 . . . . 0.0 112.746 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 t -74.53 128.52 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.971 1.308 . . . . 0.0 109.605 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -153.12 135.63 15.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.979 1.312 . . . . 0.0 111.201 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.2 t30 44.9 37.75 2.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.767 1.627 . . . . 0.0 114.999 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.32 14.0 82.09 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 115.261 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.26 166.83 20.32 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.727 2.011 . . . . 0.0 110.608 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.54 139.41 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.657 1.183 . . . . 0.0 108.097 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.8 mt -75.39 127.65 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 152.11 25.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.06 0.944 . . . . 0.0 112.496 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.35 109.26 4.63 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.925 1.29 . . . . 0.0 110.888 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.73 -42.45 93.16 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.834 0.854 . . . . 0.0 110.682 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.64 -42.63 97.35 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.701 -0.624 . . . . 0.0 111.539 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -66.24 -40.51 90.3 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.231 -0.918 . . . . 0.0 111.716 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.74 -32.99 72.25 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.221 1.008 . . . . 0.0 112.177 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.59 1.86 40.1 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.929 1.291 . . . . 0.0 112.642 174.459 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 8.6 66.66 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 126.539 2.019 . . . . 0.0 117.819 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -154.24 92.74 1.54 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.616 1.708 . . . . 0.0 112.081 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.17 136.47 42.46 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.265 1.026 . . . . 0.0 109.241 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -173.538 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 122.346 1.07 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -100.34 6.23 44.52 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.212 2.205 . . . . 0.0 114.509 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -104.58 168.92 8.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.304 1.442 . . . . 0.0 112.529 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -84.81 135.21 34.2 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.053 0.941 . . . . 0.0 111.143 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -103.53 104.61 42.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.55 159.14 7.91 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.1 2.533 . . . . 0.0 112.95 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.63 160.28 44.33 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.429 2.753 . . . . 0.0 111.967 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.43 -43.79 17.17 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.293 3.329 . . . . 0.0 115.849 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -61.74 -31.64 71.83 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.2 mt -86.01 -31.44 22.01 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.997 0.919 . . . . 0.0 111.389 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -57.41 -40.34 78.08 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.407 1.003 . . . . 0.0 110.713 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -59.93 -41.59 92.11 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.222 0.464 . . . . 0.0 111.809 175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -66.41 -38.91 88.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.305 -0.872 . . . . 0.0 110.825 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.49 89.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 110.142 176.058 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.72 -39.36 93.8 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.668 -0.645 . . . . 0.0 111.89 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.69 -47.18 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.407 -0.808 . . . . 0.0 109.68 175.416 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.33 85.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.38 0.672 . . . . 0.0 112.188 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.879 0 C-N-CA 123.515 0.578 . . . . 0.0 112.913 -179.149 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -61.02 -18.58 58.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.741 -1.849 . . . . 0.0 114.346 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -65.99 -26.58 67.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -77.32 -24.97 50.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.217 0.462 . . . . 0.0 111.167 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.81 -18.09 31.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.345 1.458 . . . . 0.0 113.074 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.8 149.9 30.9 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 121.106 1.776 . . . . 0.0 114.608 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.93 140.66 49.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.98 2.112 . . . . 0.0 108.823 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.33 147.75 41.95 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.54 140.01 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.967 1.707 . . . . 0.0 109.703 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.4 t -59.2 132.68 54.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.24 1.016 . . . . 0.0 112.499 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.18 -38.79 91.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.238 1.015 . . . . 0.0 112.104 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.84 -31.05 61.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.498 0.719 . . . . 0.0 111.913 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.73 -42.5 97.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.858 -1.151 . . . . 0.0 110.812 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -61.72 -16.15 46.77 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.841 1.656 . . . . 0.0 113.485 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -115.23 0.05 13.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.391 1.877 . . . . 0.0 113.431 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.64 69.98 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.916 1.246 . . . . 0.0 114.665 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -118.08 -7.68 10.79 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.0 t -71.02 150.04 46.0 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.332 0.969 . . . . 0.0 111.416 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -139.77 59.84 1.58 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.652 1.181 . . . . 0.0 112.653 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -154.91 149.09 19.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 126.742 2.017 . . . . 0.0 110.59 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.85 159.67 47.76 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.146 1.897 . . . . 0.0 109.459 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.09 -33.69 27.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.985 0.914 . . . . 0.0 112.272 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -62.76 -26.07 68.52 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.602 2.361 . . . . 0.0 114.759 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -120.07 -15.58 8.72 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -75.26 158.87 32.24 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 119.111 0.869 . . . . 0.0 111.702 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.78 -16.23 61.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 113.408 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -135.71 -179.93 5.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.349 1.859 . . . . 0.0 111.983 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.5 24.42 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -120.21 70.3 15.58 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.135 2.174 . . . . 0.0 111.121 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.7 165.18 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 124.14 3.227 . . . . 0.0 114.477 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -99.77 165.3 11.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.256 1.423 . . . . 0.0 110.34 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.66 -27.21 48.74 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.126 1.37 . . . . 0.0 114.62 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.7 m -85.78 -8.77 57.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.883 1.273 . . . . 0.0 114.339 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.97 163.6 25.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.423 1.01 . . . . 0.0 112.561 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -72.64 45.22 0.14 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.947 2.099 . . . . 0.0 113.576 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.45 121.23 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.836 1.254 . . . . 0.0 109.964 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -152.39 134.7 15.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.574 1.15 . . . . 0.0 110.979 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.53 36.23 3.44 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.633 1.573 . . . . 0.0 114.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 13.76 82.88 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.064 -1.022 . . . . 0.0 115.136 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -130.64 167.44 18.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.769 2.027 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.21 135.98 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.241 1.416 . . . . 0.0 107.658 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.78 129.72 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 151.3 32.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.509 0.723 . . . . 0.0 112.275 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.8 t -75.99 106.21 7.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.101 1.36 . . . . 0.0 109.3 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.75 -37.28 70.83 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.007 -1.058 . . . . 0.0 111.507 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.2 -33.49 76.13 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.344 -0.848 . . . . 0.0 111.421 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -70.07 -39.33 75.68 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.934 -1.104 . . . . 0.0 110.676 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.37 -33.14 72.03 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.163 0.892 . . . . 0.0 111.079 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.43 -10.04 59.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.466 1.506 . . . . 0.0 112.512 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 10.27 64.6 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 116.051 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -154.95 91.74 1.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.0 1.4 . . . . 0.0 111.755 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.6 t -55.85 137.23 50.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.736 1.214 . . . . 0.0 110.787 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -177.949 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 0 CA--C 1.546 0.803 0 CA-C-O 121.967 0.889 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -134.02 3.28 3.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.325 2.25 . . . . 0.0 114.782 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -94.18 169.97 9.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.343 1.457 . . . . 0.0 112.011 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 tp -84.73 135.06 34.3 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.071 -1.018 . . . . 0.0 111.429 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -99.5 104.81 29.61 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 173.686 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.33 146.1 13.79 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.206 1.937 . . . . 0.0 113.578 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.13 161.98 43.97 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.361 2.707 . . . . 0.0 109.808 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.15 -42.34 9.79 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 124.235 3.29 . . . . 0.0 116.877 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -66.36 -45.23 80.83 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.472 1.033 . . . . 0.0 112.971 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.14 -33.87 68.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.384 -0.823 . . . . 0.0 111.26 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.13 -39.76 91.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.737 1.215 . . . . 0.0 110.612 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -66.84 -42.65 85.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.788 0.835 . . . . 0.0 110.483 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.23 -36.69 82.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.393 -0.817 . . . . 0.0 111.156 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.02 77.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.43 1.092 . . . . 0.0 109.868 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.87 -42.79 85.3 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.264 0.626 . . . . 0.0 111.959 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.05 -47.64 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.36 -41.37 98.55 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.787 0.721 . . . . 0.0 111.568 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 C-N-CA 124.251 0.929 . . . . 0.0 110.875 176.626 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 121.907 0.86 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 p -64.23 -17.9 64.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -30.42 67.02 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.147 1.34 . . . . 0.0 113.907 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -80.41 -15.39 56.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.49 -15.16 15.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.942 1.697 . . . . 0.0 113.499 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.94 151.09 30.27 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.014 1.279 . . . . 0.0 113.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 150.74 52.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.871 2.068 . . . . 0.0 108.837 172.828 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -87.82 139.19 30.78 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.73 139.98 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.488 1.515 . . . . 0.0 109.759 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -56.57 130.42 45.05 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.934 0.894 . . . . 0.0 111.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.11 -33.35 75.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.941 0.896 . . . . 0.0 112.063 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.09 -32.21 39.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 112.396 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.56 -39.35 93.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.25 -0.906 . . . . 0.0 111.488 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.26 -16.02 30.2 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.909 1.684 . . . . 0.0 113.542 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -116.9 0.08 12.37 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.648 1.979 . . . . 0.0 112.885 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.79 14.77 79.76 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.464 1.507 . . . . 0.0 114.493 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -86.95 -28.27 22.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.752 1.221 . . . . 0.0 113.164 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.31 141.01 57.31 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.927 0.891 . . . . 0.0 111.956 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 p -140.02 59.83 1.57 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.449 1.5 . . . . 0.0 111.991 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -151.59 142.73 15.45 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 126.606 1.962 . . . . 0.0 109.967 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.16 154.62 69.81 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.115 1.877 . . . . 0.0 112.069 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -51.19 -33.59 28.03 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.943 1.297 . . . . 0.0 112.732 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -64.27 -23.38 67.28 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.314 2.246 . . . . 0.0 114.694 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.94 -21.6 7.07 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.45 156.15 39.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.992 0.901 . . . . 0.0 112.052 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.31 -22.0 63.82 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.877 1.671 . . . . 0.0 113.228 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.22 -179.87 5.69 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.38 1.872 . . . . 0.0 112.529 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.74 145.39 25.23 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -174.581 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -120.18 73.37 19.94 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.031 2.132 . . . . 0.0 110.819 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.14 165.15 32.38 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.426 3.417 . . . . 0.0 114.554 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p -100.41 171.66 7.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.731 1.612 . . . . 0.0 111.543 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -21.03 58.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 m -91.66 -16.32 27.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.391 1.476 . . . . 0.0 113.606 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.9 152.95 44.63 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.637 -0.664 . . . . 0.0 112.058 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -78.08 52.51 1.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.762 1.225 . . . . 0.0 112.43 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.88 131.2 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.21 1.404 . . . . 0.0 110.71 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.87 135.88 14.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.832 1.253 . . . . 0.0 110.873 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.07 38.24 3.01 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 126.113 1.765 . . . . 0.0 114.466 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.18 12.5 84.29 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 120.989 -1.07 . . . . 0.0 115.296 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -126.22 162.18 26.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.029 2.132 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.59 139.88 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -74.39 130.03 36.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.58 149.1 21.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.002 0.921 . . . . 0.0 111.677 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.36 108.95 2.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.67 1.188 . . . . 0.0 112.268 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -57.7 -42.64 84.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.95 1.3 . . . . 0.0 111.211 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.14 -45.45 93.38 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.686 0.394 . . . . 0.0 111.301 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -39.88 89.98 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.096 -1.003 . . . . 0.0 112.312 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.25 -31.17 67.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.249 . . . . 0.0 112.482 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -92.14 9.24 34.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.07 1.348 . . . . 0.0 113.265 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 4.33 72.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 117.811 1.885 . . . . 0.0 117.811 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -152.02 93.03 1.78 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.535 1.667 . . . . 0.0 111.608 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.44 129.19 40.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 109.87 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -177.28 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 122.136 0.97 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -134.03 14.52 3.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.749 2.42 . . . . 0.0 113.066 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.88 170.24 8.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.058 2.143 . . . . 0.0 111.937 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -84.6 135.11 34.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.795 0.838 . . . . 0.0 110.79 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -104.57 104.65 46.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -89.48 161.22 5.44 Favored 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 123.174 2.583 . . . . 0.0 112.879 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.47 162.2 42.11 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.732 2.954 . . . . 0.0 112.024 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -44.2 -41.92 13.12 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.8 3.666 . . . . 0.0 116.837 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -64.36 -39.42 93.84 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.184 -0.947 . . . . 0.0 112.548 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 mt -77.3 -32.31 55.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.257 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.59 -43.18 93.78 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.902 1.228 . . . . 0.0 109.692 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.4 m -62.17 -44.5 96.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.494 0.718 . . . . 0.0 110.899 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.29 -37.82 84.55 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.505 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.52 -45.42 79.58 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.273 1.029 . . . . 0.0 110.337 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.69 -35.68 78.7 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.675 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.33 -47.06 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -56.91 -47.76 79.81 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.345 1.058 . . . . 0.0 110.706 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 C-N-CA 124.177 0.894 . . . . 0.0 113.917 178.05 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 120.94 0.4 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 p -68.38 -21.84 64.68 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.111 -1.618 . . . . 0.0 113.352 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.4 -32.78 67.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.877 1.271 . . . . 0.0 114.285 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -82.39 -21.48 35.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.87 -14.33 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.774 1.629 . . . . 0.0 112.644 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.81 147.8 31.66 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.864 1.666 . . . . 0.0 114.722 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.25 140.28 43.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.184 2.194 . . . . 0.0 109.035 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 146.54 47.78 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.6 140.01 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.031 1.732 . . . . 0.0 110.23 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -62.19 126.58 27.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.423 1.089 . . . . 0.0 111.865 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -61.87 -39.89 93.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.473 -0.767 . . . . 0.0 111.844 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.39 -26.57 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.42 0.688 . . . . 0.0 111.788 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -70.68 -42.71 70.35 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.859 -1.151 . . . . 0.0 110.159 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.68 -38.32 90.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.753 0.821 . . . . 0.0 111.068 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -70.02 -20.46 63.26 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.92 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.0 31.58 38.75 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.111 1.339 . . . . 0.0 113.571 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.5 p -124.26 -18.24 5.89 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.96 140.51 58.32 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.861 1.21 . . . . 0.0 111.218 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -137.55 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.772 1.229 . . . . 0.0 111.989 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -149.85 150.36 30.12 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 126.873 2.069 . . . . 0.0 110.226 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.31 155.9 50.99 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.133 1.889 . . . . 0.0 110.552 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.67 -32.92 44.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.987 0.915 . . . . 0.0 111.91 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.339 2.256 . . . . 0.0 114.811 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.04 -20.23 7.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -71.87 153.2 42.04 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 118.856 0.753 . . . . 0.0 111.627 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -72.2 -10.44 59.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.235 1.414 . . . . 0.0 114.763 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -138.45 -179.88 6.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.489 1.916 . . . . 0.0 111.412 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.9 24.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -120.07 78.29 24.82 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 127.124 2.17 . . . . 0.0 109.853 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.7 165.12 24.2 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.992 3.128 . . . . 0.0 115.095 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -105.43 175.65 5.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.358 1.863 . . . . 0.0 111.349 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.84 -20.52 65.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -91.56 -17.99 24.77 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.215 1.406 . . . . 0.0 113.252 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -65.8 137.77 57.46 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.017 0.826 . . . . 0.0 111.399 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -81.48 55.57 2.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.147 0.979 . . . . 0.0 111.573 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -63.22 134.06 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.085 1.754 . . . . 0.0 111.372 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 146.32 22.96 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.609 1.164 . . . . 0.0 111.993 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 46.88 32.35 1.79 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.912 1.685 . . . . 0.0 114.619 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 14.53 82.05 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 120.76 -1.213 . . . . 0.0 114.988 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -129.84 164.51 23.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.692 1.997 . . . . 0.0 111.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.26 139.18 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.64 126.23 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.59 149.06 33.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.103 0.961 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.9 t -70.37 111.98 6.34 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.631 1.572 . . . . 0.0 111.176 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -58.59 -39.52 80.59 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.948 1.299 . . . . 0.0 111.314 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.57 -29.91 65.26 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.305 -0.872 . . . . 0.0 112.249 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.8 t -68.6 -41.84 79.03 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.299 -0.876 . . . . 0.0 109.78 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.46 -33.04 74.04 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.457 1.103 . . . . 0.0 111.339 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.72 -10.04 59.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.297 1.439 . . . . 0.0 112.133 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.75 6.57 69.86 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.636 2.065 . . . . 0.0 116.347 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -154.88 92.14 1.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.176 1.488 . . . . 0.0 111.456 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 t -54.31 133.2 44.99 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.672 1.189 . . . . 0.0 110.873 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -173.939 . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.7 t . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 122.362 1.077 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -132.13 19.57 4.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.809 2.444 . . . . 0.0 113.614 -172.019 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.6 168.17 10.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.694 1.997 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.72 135.14 34.26 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 111.135 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -96.83 104.72 19.48 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.42 143.24 13.64 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 113.235 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -73.38 161.96 41.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.478 2.785 . . . . 0.0 110.762 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.41 -43.28 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.425 3.416 . . . . 0.0 116.388 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -64.05 -32.62 74.24 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.225 0.921 . . . . 0.0 113.446 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.67 -27.56 27.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.473 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -57.65 -39.56 77.29 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.922 1.237 . . . . 0.0 110.516 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.2 m -60.55 -44.72 95.81 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.041 0.536 . . . . 0.0 111.39 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.9 -37.33 86.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.583 -0.698 . . . . 0.0 111.085 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -44.35 93.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.618 1.167 . . . . 0.0 110.685 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.67 -41.27 98.98 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.05 -1.031 . . . . 0.0 111.669 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.957 0.903 . . . . 0.0 109.792 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.55 -41.15 89.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.717 0.807 . . . . 0.0 110.452 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.59 0 C-N-CA 125.729 1.633 . . . . 0.0 112.239 176.086 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -56.87 -21.14 27.11 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.836 -1.79 . . . . 0.0 114.81 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.03 -29.13 67.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 113.464 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -87.21 -28.75 22.19 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.192 0.451 . . . . 0.0 111.922 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.38 -18.14 57.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.611 1.164 . . . . 0.0 112.698 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.72 150.32 30.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.76 136.16 47.36 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.108 2.163 . . . . 0.0 108.814 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.53 149.5 40.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.52 138.23 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.071 1.748 . . . . 0.0 109.98 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.4 t -59.76 123.58 17.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.066 0.946 . . . . 0.0 111.003 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -64.31 -38.81 92.37 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.427 -0.796 . . . . 0.0 111.995 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.79 -27.23 64.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.399 0.679 . . . . 0.0 112.242 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -68.82 -44.9 72.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.394 0.997 . . . . 0.0 109.986 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -64.75 -34.87 79.35 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 111.706 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -75.07 -14.13 60.56 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 0.0 113.268 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 35.22 28.19 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.869 1.224 . . . . 0.0 113.583 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -124.56 -29.39 3.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.452 1.501 . . . . 0.0 113.964 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 139.75 58.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.474 1.034 . . . . 0.0 111.684 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.7 m -138.21 59.85 1.63 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.305 1.442 . . . . 0.0 111.566 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -145.88 147.65 33.13 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.821 2.048 . . . . 0.0 110.088 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -73.0 154.63 52.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 121.921 1.747 . . . . 0.0 109.993 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.09 -34.85 45.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.921 0.888 . . . . 0.0 111.997 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -60.25 -24.98 65.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.666 2.387 . . . . 0.0 114.598 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.11 -18.54 8.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.15 145.46 35.65 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.244 0.929 . . . . 0.0 111.144 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.01 -14.57 49.57 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.5 -179.96 5.91 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.26 1.824 . . . . 0.0 111.894 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.36 24.48 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -120.14 66.41 11.47 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.251 2.221 . . . . 0.0 110.752 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.09 165.08 33.71 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.908 3.072 . . . . 0.0 114.041 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -103.39 165.11 11.23 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.659 1.584 . . . . 0.0 109.85 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.67 -24.21 32.7 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -73.63 -20.07 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.386 1.475 . . . . 0.0 113.955 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.77 161.97 24.29 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.015 0.825 . . . . 0.0 112.597 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -73.42 46.52 0.2 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.377 1.871 . . . . 0.0 112.848 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.54 128.17 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.909 1.283 . . . . 0.0 110.384 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.93 139.8 17.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.823 1.249 . . . . 0.0 110.737 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 41.3 35.91 0.46 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.46 14.17 71.63 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -143.37 166.32 25.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.796 1.638 . . . . 0.0 112.432 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.99 139.75 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.733 1.213 . . . . 0.0 108.027 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.67 126.74 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.82 148.81 28.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.487 0.715 . . . . 0.0 111.641 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.6 t -69.39 112.98 6.3 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.708 1.203 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.8 -39.96 86.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.401 1.08 . . . . 0.0 111.461 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -67.9 -35.91 79.3 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.584 -0.698 . . . . 0.0 111.552 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -67.91 -40.28 83.42 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.24 -0.912 . . . . 0.0 111.073 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.37 -32.43 71.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.225 1.01 . . . . 0.0 111.685 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -80.65 -4.45 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.3 1.44 . . . . 0.0 112.852 174.405 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.74 67.88 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 126.424 1.964 . . . . 0.0 116.695 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -153.23 91.91 1.56 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.3 1.55 . . . . 0.0 111.32 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.36 132.05 51.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.263 1.025 . . . . 0.0 110.454 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -175.677 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.546 0.818 0 CA-C-O 121.553 0.692 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -133.98 5.13 3.58 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.956 2.102 . . . . 0.0 114.11 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -96.38 169.64 9.78 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.808 1.643 . . . . 0.0 111.515 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.71 135.04 34.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.96 -1.087 . . . . 0.0 111.509 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -99.05 104.82 28.14 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.48 142.22 10.39 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.544 2.163 . . . . 0.0 114.707 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.04 162.58 41.66 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 124.414 3.41 . . . . 0.0 110.61 173.66 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.05 -45.43 9.34 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.6 3.533 . . . . 0.0 117.335 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -66.41 -38.46 87.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.756 1.162 . . . . 0.0 112.565 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.27 -27.98 63.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.558 -0.714 . . . . 0.0 111.313 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.93 -39.4 91.93 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.938 1.245 . . . . 0.0 110.176 172.342 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.2 m -64.91 -43.8 91.64 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.717 -0.615 . . . . 0.0 110.691 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -60.51 -39.37 87.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.608 -0.682 . . . . 0.0 110.898 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.59 -47.83 79.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.428 1.091 . . . . 0.0 110.302 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.01 -39.72 86.78 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.131 0.878 . . . . 0.0 112.926 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.86 -46.44 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.784 0.834 . . . . 0.0 109.667 176.444 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -61.69 -42.31 98.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.352 0.661 . . . . 0.0 110.846 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.444 0 C-N-CA 125.9 1.714 . . . . 0.0 112.667 179.311 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.705 0.764 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -59.57 -16.41 25.15 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -51.32 -32.02 23.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.6 1.56 . . . . 0.0 113.537 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -87.84 -26.18 22.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.45 -13.96 44.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.605 1.162 . . . . 0.0 112.586 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.82 152.71 29.58 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -139.06 146.28 40.59 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.181 2.592 . . . . 0.0 109.28 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.62 140.76 33.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.0 t -87.61 140.03 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.205 1.802 . . . . 0.0 110.287 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -58.5 134.68 56.91 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.069 0.948 . . . . 0.0 112.351 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -64.8 -45.69 85.18 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.336 -0.852 . . . . 0.0 111.021 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -68.01 -26.08 65.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.485 0.714 . . . . 0.0 112.202 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.92 -44.42 69.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.138 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.13 -34.98 79.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.169 0.988 . . . . 0.0 111.317 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.51 -19.49 63.72 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.832 1.653 . . . . 0.0 112.796 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.99 28.8 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 112.359 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -122.76 -34.96 3.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.847 1.659 . . . . 0.0 113.642 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -64.25 135.0 55.84 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.217 0.917 . . . . 0.0 111.156 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 m -139.84 59.72 1.58 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.72 1.208 . . . . 0.0 112.251 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -148.63 153.83 40.16 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.959 2.103 . . . . 0.0 110.036 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.84 152.1 63.43 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.779 1.653 . . . . 0.0 110.43 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.53 -25.16 36.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -66.37 -30.08 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.268 1.427 . . . . 0.0 112.246 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.29 -31.92 11.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.959 1.304 . . . . 0.0 112.703 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.27 170.04 14.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.775 0.83 . . . . 0.0 111.58 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.61 -11.96 49.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.259 1.424 . . . . 0.0 113.838 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.13 -179.81 6.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 112.344 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.72 145.14 25.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.639 0.776 . . . . 0.0 112.986 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.13 74.07 20.65 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.706 2.002 . . . . 0.0 111.434 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.44 165.09 33.7 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.13 3.22 . . . . 0.0 114.104 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -94.48 160.53 14.61 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.996 1.318 . . . . 0.0 109.53 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -57.69 -22.77 48.03 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.379 1.071 . . . . 0.0 113.711 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -78.94 -23.84 44.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.007 2.123 . . . . 0.0 114.376 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.03 160.21 32.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.965 0.906 . . . . 0.0 112.958 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -75.52 54.72 0.77 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.168 1.387 . . . . 0.0 112.59 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.26 130.79 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.92 1.288 . . . . 0.0 109.488 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.05 134.75 17.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.545 1.138 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 40.78 32.01 0.14 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.023 2.529 . . . . 0.0 117.378 179.202 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 13.97 58.29 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.576 1.084 . . . . 0.0 114.529 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -130.16 162.51 28.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.918 2.087 . . . . 0.0 110.805 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.72 138.82 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.547 1.139 . . . . 0.0 108.083 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.04 126.97 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 151.99 29.72 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.783 0.833 . . . . 0.0 112.728 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.8 106.05 4.6 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.617 1.567 . . . . 0.0 109.881 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.41 -37.23 67.35 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.608 1.163 . . . . 0.0 111.538 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.47 -31.15 70.24 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.575 -0.703 . . . . 0.0 111.984 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.7 t -69.36 -37.69 77.74 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.176 -0.952 . . . . 0.0 110.539 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.22 -33.08 72.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.285 -0.885 . . . . 0.0 111.112 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.45 -3.04 48.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.779 1.232 . . . . 0.0 113.235 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.76 82.66 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.709 1.623 . . . . 0.0 116.222 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -153.43 89.11 1.32 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.185 1.492 . . . . 0.0 111.838 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.4 t -51.4 126.16 16.33 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.174 1.39 . . . . 0.0 110.771 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 -175.23 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 121.876 0.846 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -134.2 35.53 3.25 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.024 2.13 . . . . 0.0 112.119 177.952 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -117.36 168.22 10.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.198 2.199 . . . . 0.0 110.69 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.76 135.07 34.28 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.885 -1.135 . . . . 0.0 112.315 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -96.23 104.96 19.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.176 1.39 . . . . 0.0 107.465 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.39 135.07 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.06 1.84 . . . . 0.0 115.211 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.36 163.37 39.01 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.652 2.902 . . . . 0.0 109.672 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -42.96 -43.48 9.35 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.403 3.402 . . . . 0.0 117.556 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -67.9 -44.84 76.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.503 1.047 . . . . 0.0 112.843 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 mt -71.74 -32.79 68.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.362 -0.836 . . . . 0.0 111.319 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.9 -38.55 86.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.955 1.302 . . . . 0.0 110.436 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 m -67.87 -43.84 78.49 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.123 0.569 . . . . 0.0 110.27 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -35.5 77.34 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.2 -0.937 . . . . 0.0 111.144 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.91 -50.47 66.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.132 1.373 . . . . 0.0 110.25 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.31 -32.39 73.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.88 1.218 . . . . 0.0 112.897 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.29 -47.95 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.352 0.661 . . . . 0.0 109.553 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.25 -43.81 92.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.003 0.921 . . . . 0.0 110.508 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.617 0 C-N-CA 125.773 1.654 . . . . 0.0 112.137 176.32 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 p -63.05 -14.17 44.86 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.883 -1.761 . . . . 0.0 114.653 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.85 -29.91 69.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.12 0.968 . . . . 0.0 113.037 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -78.62 -16.6 57.18 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.76 -0.587 . . . . 0.0 112.21 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.48 -16.58 19.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 0.0 113.376 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.84 146.31 32.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.605 1.548 . . . . 0.0 114.069 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -133.49 138.06 45.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.541 1.936 . . . . 0.0 109.339 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -76.56 142.52 40.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.605 1.162 . . . . 0.0 113.806 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.29 140.0 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.079 2.151 . . . . 0.0 110.506 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.45 136.46 56.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.218 1.007 . . . . 0.0 112.298 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -63.71 -51.91 62.91 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.063 0.945 . . . . 0.0 110.864 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -28.84 70.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.858 0.863 . . . . 0.0 112.454 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -66.22 -41.38 90.19 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.969 -1.082 . . . . 0.0 110.539 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.05 -32.4 72.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.06 0.944 . . . . 0.0 111.703 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -78.79 -11.84 60.0 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.969 0.908 . . . . 0.0 112.974 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.25 29.78 52.39 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.972 1.272 . . . . 0.0 114.01 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.1 p -121.86 -18.71 6.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.19 135.77 56.6 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.942 1.247 . . . . 0.0 110.204 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -136.74 59.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.304 1.041 . . . . 0.0 113.292 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -159.86 154.89 21.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 126.286 1.835 . . . . 0.0 111.145 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.04 155.18 69.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.192 1.928 . . . . 0.0 110.876 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -54.05 -31.86 52.79 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -64.56 -26.17 68.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.973 1.309 . . . . 0.0 112.897 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.72 -20.38 15.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.4 1.48 . . . . 0.0 112.248 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.73 170.07 15.49 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.993 1.317 . . . . 0.0 112.391 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -92.43 -8.03 45.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.183 1.793 . . . . 0.0 114.472 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -142.39 -179.92 6.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.818 2.047 . . . . 0.0 111.632 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.64 148.44 23.32 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -120.2 78.26 25.81 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 126.557 1.943 . . . . 0.0 111.014 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.58 165.17 30.22 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.362 3.375 . . . . 0.0 114.754 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -105.38 169.26 8.56 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.161 1.784 . . . . 0.0 110.946 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -55.7 -31.09 62.15 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.563 1.145 . . . . 0.0 113.855 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -76.22 -19.42 58.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.349 1.459 . . . . 0.0 114.141 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.52 142.13 50.13 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.316 -0.865 . . . . 0.0 111.191 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -81.57 58.25 3.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.837 0.827 . . . . 0.0 111.787 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.64 133.75 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.693 1.997 . . . . 0.0 111.102 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.11 144.87 22.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.118 0.967 . . . . 0.0 112.667 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 43.38 31.97 0.45 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.545 1.938 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.82 9.96 73.45 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 120.827 -1.171 . . . . 0.0 115.926 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 167.72 21.27 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.94 1.87 . . . . 0.0 112.331 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.64 141.21 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.189 0.996 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -73.94 126.57 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.17 152.03 26.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.876 0.87 . . . . 0.0 112.594 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.8 t -71.78 106.76 4.27 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 110.584 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.05 -39.91 75.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 111.559 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -64.74 -42.43 95.19 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 0.0 111.651 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -68.75 -37.8 79.67 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.135 -0.978 . . . . 0.0 112.048 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.18 -26.01 64.44 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.739 1.216 . . . . 0.0 112.642 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -98.33 7.17 46.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.847 1.659 . . . . 0.0 112.963 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.05 6.3 69.48 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 117.918 1.927 . . . . 0.0 117.918 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -152.51 88.12 1.34 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.189 1.995 . . . . 0.0 112.884 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -53.43 128.1 27.41 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.041 1.336 . . . . 0.0 110.303 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.671 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 t . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 122.413 1.102 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -127.59 12.51 6.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.995 2.518 . . . . 0.0 112.76 -175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -104.12 169.62 8.38 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.083 1.753 . . . . 0.0 111.941 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.78 135.14 34.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.894 0.877 . . . . 0.0 111.112 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -102.01 104.71 37.83 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -85.71 160.57 10.65 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.092 2.528 . . . . 0.0 113.472 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.34 158.59 44.53 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.713 2.942 . . . . 0.0 111.824 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -45.19 -43.46 16.37 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.679 3.586 . . . . 0.0 116.579 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -62.74 -40.55 97.58 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.243 -0.911 . . . . 0.0 112.053 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -79.54 -28.3 41.26 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.889 0.876 . . . . 0.0 111.46 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.342 0.974 . . . . 0.0 109.664 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 m -64.2 -44.77 90.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.411 0.685 . . . . 0.0 110.416 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -60.95 -37.82 83.69 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.737 -0.602 . . . . 0.0 111.191 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.33 -46.82 78.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.263 1.025 . . . . 0.0 110.529 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.49 -44.55 80.77 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.241 0.616 . . . . 0.0 110.181 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.7 mt -63.04 -45.46 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.294 1.038 . . . . 0.0 110.916 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -53.75 -45.22 70.5 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.553 1.141 . . . . 0.0 112.222 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 CA-C-O 119.546 -0.586 . . . . 0.0 114.239 178.757 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 121.752 0.787 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.6 p -68.1 -12.99 61.86 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.562 -1.336 . . . . 0.0 114.569 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -56.13 -27.4 53.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.791 1.236 . . . . 0.0 113.439 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -86.61 -17.9 32.76 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.12 -15.75 24.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.52 1.528 . . . . 0.0 112.754 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.77 152.21 29.93 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.399 1.454 . . . . 0.0 114.179 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -133.08 145.35 50.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.869 2.067 . . . . 0.0 108.363 173.456 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.25 141.37 35.62 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.92 139.68 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.947 1.299 . . . . 0.0 109.272 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.72 132.81 54.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.051 0.941 . . . . 0.0 111.956 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -65.29 -41.85 93.71 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.899 0.88 . . . . 0.0 111.503 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.74 -26.86 61.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.364 0.666 . . . . 0.0 111.703 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.41 -42.74 82.77 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.729 -1.232 . . . . 0.0 110.362 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.3 -35.64 81.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.205 1.002 . . . . 0.0 111.54 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -75.0 -16.37 60.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.94 1.296 . . . . 0.0 113.089 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.98 44.8 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.013 1.292 . . . . 0.0 113.458 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.1 p -124.81 -13.71 6.87 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.89 145.5 56.21 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.965 1.257 . . . . 0.0 111.166 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 p -140.08 59.69 1.57 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.459 1.104 . . . . 0.0 113.072 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -149.6 148.75 26.74 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.825 2.05 . . . . 0.0 110.116 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.74 157.77 51.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.986 1.791 . . . . 0.0 110.149 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.32 -32.45 25.24 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.029 0.932 . . . . 0.0 112.237 176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -64.35 -24.76 67.75 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.622 2.369 . . . . 0.0 115.006 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -120.0 -20.31 7.52 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.3 155.16 41.0 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.792 0.806 . . . . 0.0 111.679 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.83 -9.69 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.07 1.348 . . . . 0.0 113.997 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.79 -179.93 6.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.432 1.893 . . . . 0.0 111.985 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 143.38 26.84 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.159 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.09 71.11 15.96 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 127.055 2.142 . . . . 0.0 110.863 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.62 165.12 33.48 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.974 3.116 . . . . 0.0 114.035 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.38 167.8 9.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.728 1.611 . . . . 0.0 110.212 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.73 -26.34 44.89 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -78.54 -16.37 57.53 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.586 1.554 . . . . 0.0 114.197 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -77.88 157.04 30.01 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.15 0.886 . . . . 0.0 112.423 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 50.08 0.61 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.309 1.444 . . . . 0.0 112.209 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.09 127.23 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.874 -1.141 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.65 130.11 12.97 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.348 1.059 . . . . 0.0 111.413 -176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 45.91 36.91 3.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.77 1.628 . . . . 0.0 115.249 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 115.458 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -131.93 167.42 19.66 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.625 1.97 . . . . 0.0 110.733 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.04 137.34 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mt -74.86 129.49 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.02 151.99 25.59 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.716 0.807 . . . . 0.0 112.513 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.76 109.83 8.56 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.059 1.344 . . . . 0.0 110.241 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.37 -45.73 84.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.357 1.063 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -60.83 -38.43 85.43 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.615 -0.678 . . . . 0.0 111.925 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -70.32 -39.86 74.51 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.333 -0.854 . . . . 0.0 111.66 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.29 -29.62 65.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.57 1.148 . . . . 0.0 112.101 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.86 5.45 51.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.469 1.508 . . . . 0.0 113.263 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.01 5.92 70.07 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 118.566 2.186 . . . . 0.0 118.566 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -152.67 88.68 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.419 2.11 . . . . 0.0 112.104 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.1 t -52.88 126.18 19.41 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.019 1.328 . . . . 0.0 111.16 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 124.878 1.271 . . . . 0.0 114.221 -174.831 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 122.626 1.203 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -132.19 0.65 3.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.217 2.607 . . . . 0.0 112.505 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -89.93 167.69 12.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.027 1.731 . . . . 0.0 111.272 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 tp -84.68 135.18 34.27 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.972 -1.08 . . . . 0.0 112.088 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -101.69 104.67 36.37 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 171.42 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -89.73 161.44 5.18 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 C-N-CA 122.993 2.462 . . . . 0.0 112.385 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.0 160.4 47.69 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.29 2.66 . . . . 0.0 111.702 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.3 -44.18 13.1 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.389 3.393 . . . . 0.0 116.218 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -62.27 -30.74 71.34 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -86.03 -31.66 21.86 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.403 1.081 . . . . 0.0 111.292 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -58.35 -46.34 86.46 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.644 1.111 . . . . 0.0 110.32 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -60.52 -41.92 95.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.038 0.535 . . . . 0.0 111.72 177.338 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.99 -40.23 94.93 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.68 -0.638 . . . . 0.0 110.954 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.69 -47.43 83.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.14 0.976 . . . . 0.0 111.02 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -63.4 -38.42 91.08 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.37 -0.831 . . . . 0.0 112.366 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.05 -48.16 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.546 0.738 . . . . 0.0 110.092 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -60.8 -41.9 96.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.228 0.611 . . . . 0.0 111.25 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 C-N-CA 124.22 0.914 . . . . 0.0 111.864 176.948 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -66.87 -16.98 64.66 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 119.785 -1.822 . . . . 0.0 113.21 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -59.1 -26.32 64.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.863 1.265 . . . . 0.0 113.491 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -87.23 -21.04 26.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.002 0.819 . . . . 0.0 112.2 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.33 -15.28 38.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.8 144.44 33.54 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -130.11 134.91 47.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.846 2.058 . . . . 0.0 110.349 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.06 140.71 58.36 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.553 1.541 . . . . 0.0 114.41 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -90.25 140.02 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.523 1.929 . . . . 0.0 110.404 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -61.94 124.12 19.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.385 1.074 . . . . 0.0 112.932 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -35.88 78.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.285 1.034 . . . . 0.0 112.293 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.66 -32.13 62.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.219 0.608 . . . . 0.0 111.083 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.6 -42.25 91.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.773 -1.204 . . . . 0.0 110.301 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.54 -16.18 54.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.384 1.474 . . . . 0.0 113.651 175.294 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.99 0.12 15.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.938 1.695 . . . . 0.0 112.686 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.18 28.0 70.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.912 1.244 . . . . 0.0 114.834 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.4 p -115.39 -14.97 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 t -68.99 144.01 54.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.402 1.001 . . . . 0.0 111.041 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.09 59.96 1.56 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.341 1.056 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -149.24 150.1 30.95 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 126.576 1.95 . . . . 0.0 110.551 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.96 156.71 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.109 1.873 . . . . 0.0 110.251 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -52.03 -33.15 37.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.003 0.921 . . . . 0.0 112.242 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -64.0 -24.67 67.8 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 127.463 2.305 . . . . 0.0 114.968 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -120.01 -18.68 8.09 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.1 163.61 25.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.428 1.109 . . . . 0.0 112.9 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -73.49 -19.39 60.94 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.557 1.943 . . . . 0.0 114.104 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.89 -179.71 6.37 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.208 2.203 . . . . 0.0 111.575 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 148.89 22.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -120.04 78.62 24.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.041 2.137 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.02 165.14 31.14 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.414 3.409 . . . . 0.0 115.188 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.6 p -105.46 175.62 5.43 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.367 1.867 . . . . 0.0 110.794 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.77 -21.64 66.52 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 m -91.57 -17.13 26.09 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.277 1.431 . . . . 0.0 113.68 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -65.58 147.35 53.55 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.686 0.675 . . . . 0.0 112.362 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -81.39 64.4 6.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.317 1.047 . . . . 0.0 111.654 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.75 135.37 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.236 1.415 . . . . 0.0 109.559 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -154.98 135.52 13.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.28 1.432 . . . . 0.0 110.823 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 42.76 39.49 1.7 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.228 1.811 . . . . 0.0 115.5 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.59 13.25 80.46 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 120.879 -1.138 . . . . 0.0 115.414 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -131.05 169.2 16.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.915 2.086 . . . . 0.0 110.556 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.21 137.97 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.3 mt -72.86 127.54 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.56 152.06 22.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.094 0.958 . . . . 0.0 113.026 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.35 106.09 3.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.82 1.648 . . . . 0.0 110.554 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.51 -42.52 64.38 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.403 1.081 . . . . 0.0 111.902 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -64.11 -32.88 74.61 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.57 -0.707 . . . . 0.0 112.007 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 t -69.36 -41.65 76.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.632 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.69 -33.06 71.09 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.412 1.006 . . . . 0.0 111.772 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -81.09 -2.46 48.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.814 1.246 . . . . 0.0 112.831 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.08 69.96 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 126.279 1.895 . . . . 0.0 117.291 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -154.64 92.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.391 1.595 . . . . 0.0 111.851 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.3 t -56.8 131.3 48.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.94 0.896 . . . . 0.0 109.345 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.092 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 CA--C 1.548 0.881 0 CA-C-O 122.093 0.949 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -134.05 17.78 3.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.882 2.473 . . . . 0.0 112.66 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -109.38 170.03 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.033 2.133 . . . . 0.0 112.642 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.1 tp -84.53 135.11 34.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.995 -1.066 . . . . 0.0 111.925 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -97.73 104.82 23.07 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.65 150.0 16.55 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.383 2.055 . . . . 0.0 113.609 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.37 162.75 41.26 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.382 2.721 . . . . 0.0 110.793 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -42.97 -42.65 9.33 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.536 3.491 . . . . 0.0 117.015 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -66.09 -48.87 69.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.174 0.897 . . . . 0.0 112.954 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.82 -33.84 71.1 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.423 -0.798 . . . . 0.0 111.597 176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.89 -47.05 87.32 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.137 1.375 . . . . 0.0 110.372 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.9 m -63.68 -42.99 97.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.356 0.663 . . . . 0.0 110.836 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.62 -38.77 91.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.655 0.661 . . . . 0.0 111.222 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.98 -46.01 89.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.63 0.772 . . . . 0.0 110.757 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.61 -37.86 85.49 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.291 -0.88 . . . . 0.0 111.789 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.3 -45.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.108 0.963 . . . . 0.0 110.235 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.68 -40.7 88.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.044 0.938 . . . . 0.0 110.314 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.654 0 C-N-CA 125.109 1.337 . . . . 0.0 110.918 175.95 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t0 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -57.07 -18.75 15.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.24 -1.537 . . . . 0.0 114.662 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.07 -26.32 68.19 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.737 1.153 . . . . 0.0 113.019 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -80.29 -12.67 59.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.695 0.68 . . . . 0.0 112.367 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.72 -15.79 14.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.624 1.57 . . . . 0.0 113.57 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -79.9 151.64 30.04 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.62 1.555 . . . . 0.0 113.709 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.1 mt -133.08 138.88 46.88 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.891 2.076 . . . . 0.0 108.654 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.5 146.47 40.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.41 140.03 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.219 1.807 . . . . 0.0 109.807 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.16 134.5 57.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 112.419 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -68.52 -42.06 79.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.888 0.875 . . . . 0.0 111.567 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.79 -28.06 66.44 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.182 0.593 . . . . 0.0 111.502 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.7 -44.64 73.52 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.755 -1.216 . . . . 0.0 110.556 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.64 -35.26 80.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.152 0.981 . . . . 0.0 111.295 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -73.05 -20.36 60.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.094 1.758 . . . . 0.0 112.915 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 33.05 34.2 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.396 1.474 . . . . 0.0 113.736 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -128.16 -11.63 5.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.9 148.7 42.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.876 1.216 . . . . 0.0 112.415 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -140.0 59.82 1.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.804 1.242 . . . . 0.0 113.512 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -152.89 150.12 23.58 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 126.859 2.064 . . . . 0.0 110.764 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.08 158.75 48.92 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.159 1.906 . . . . 0.0 109.594 173.624 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.75 -33.5 23.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.237 1.015 . . . . 0.0 112.587 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -64.41 -25.84 68.19 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.385 2.274 . . . . 0.0 114.745 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -120.04 -14.76 8.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.89 157.68 32.98 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.036 0.834 . . . . 0.0 111.476 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.64 -9.52 58.75 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.219 1.408 . . . . 0.0 114.685 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -141.36 -179.9 6.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.805 2.042 . . . . 0.0 111.225 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 147.83 23.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -175.532 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -120.24 71.6 17.47 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 127.225 2.21 . . . . 0.0 111.186 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.69 165.11 33.1 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 124.023 3.149 . . . . 0.0 113.844 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 t -105.45 177.36 4.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.77 1.228 . . . . 0.0 111.62 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.12 -27.31 66.94 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.214 1.406 . . . . 0.0 113.468 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -80.16 -16.49 54.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.399 1.48 . . . . 0.0 114.141 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.7 m -78.87 150.44 32.21 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.201 0.909 . . . . 0.0 112.111 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -79.72 62.74 4.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.082 0.953 . . . . 0.0 111.405 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 t -72.73 129.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.229 1.412 . . . . 0.0 109.598 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -144.38 129.7 18.8 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.334 1.453 . . . . 0.0 111.634 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 42.43 40.46 1.88 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.907 1.683 . . . . 0.0 115.253 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.26 78.36 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.092 -1.005 . . . . 0.0 115.285 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -133.35 166.06 23.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.9 2.08 . . . . 0.0 110.48 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.6 138.46 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -75.83 126.68 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 151.33 30.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.561 0.745 . . . . 0.0 112.166 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 t -75.77 112.26 11.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.081 1.352 . . . . 0.0 110.523 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.73 -44.37 85.98 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.394 -0.816 . . . . 0.0 110.99 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -62.7 -39.72 94.9 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.888 -0.508 . . . . 0.0 111.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -69.11 -38.47 78.92 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.964 -1.085 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.79 -33.02 72.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.317 1.047 . . . . 0.0 110.9 174.446 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -6.89 52.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.595 1.558 . . . . 0.0 112.543 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 8.79 66.31 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 126.976 2.227 . . . . 0.0 116.267 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -155.89 92.88 1.4 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.925 1.363 . . . . 0.0 111.591 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.3 t -55.1 142.43 30.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.133 0.973 . . . . 0.0 110.268 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 124.923 1.289 . . . . 0.0 114.213 -175.619 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 121.678 0.751 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 6.33 3.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 114.959 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.26 166.98 11.3 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.449 1.5 . . . . 0.0 109.173 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -84.63 135.07 34.33 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.56 -1.338 . . . . 0.0 111.789 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -102.22 104.69 38.48 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -87.1 151.18 8.21 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.793 2.329 . . . . 0.0 114.966 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.58 164.23 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.083 3.188 . . . . 0.0 110.613 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.2 -41.65 9.81 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.498 3.466 . . . . 0.0 117.023 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -68.14 -54.22 19.58 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.57 1.077 . . . . 0.0 112.102 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.87 -34.02 75.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.2 0.909 . . . . 0.0 111.651 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.96 -42.28 97.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.575 1.15 . . . . 0.0 110.399 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -64.36 -42.88 95.99 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.526 0.73 . . . . 0.0 110.751 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.93 -39.13 88.23 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.393 -0.817 . . . . 0.0 110.931 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -46.01 86.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.985 . . . . 0.0 110.739 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.44 -44.2 89.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.858 . . . . 0.0 111.104 176.147 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.31 -43.99 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 0.0 110.598 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -60.5 -38.7 85.17 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.633 1.173 . . . . 0.0 111.046 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 C-N-CA 124.769 1.176 . . . . 0.0 113.033 176.447 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.35 15.48 2.21 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.966 1.706 . . . . 0.0 113.295 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.15 163.16 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 126.162 1.785 . . . . 0.0 111.469 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -148.29 156.57 42.7 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.162 1.385 . . . . 0.0 111.65 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -139.32 147.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.041 1.336 . . . . 0.0 112.311 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 m -62.54 135.76 95.68 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 125.493 1.517 . . . . 0.0 110.881 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.56 -32.26 43.25 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.768 2.979 . . . . 0.0 115.505 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 pt -120.04 160.02 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.904 2.081 . . . . 0.0 112.404 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -60.53 131.26 50.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.905 1.282 . . . . 0.0 110.882 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -79.1 99.71 7.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.131 0.572 . . . . 0.0 111.65 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.6 p -70.35 -16.71 63.01 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.298 -1.501 . . . . 0.0 113.755 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -56.93 -30.0 63.6 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.904 1.282 . . . . 0.0 113.77 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 p-90 -82.04 -12.14 58.44 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 mt -107.36 -15.36 14.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.566 1.546 . . . . 0.0 113.367 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.77 150.4 30.79 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.919 1.236 . . . . 0.0 114.045 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -130.99 147.53 52.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.116 1.766 . . . . 0.0 109.455 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.39 137.62 35.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.584 1.154 . . . . 0.0 113.682 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.52 139.24 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.342 1.457 . . . . 0.0 109.242 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.79 132.61 52.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.938 0.875 . . . . 0.0 112.27 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 5.3 mmp_? -63.0 -37.78 88.56 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.551 1.14 . . . . 0.0 112.012 -179.377 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.99 -28.68 39.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 112.51 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -63.45 -42.2 98.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.811 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.7 mt-30 -66.0 -16.24 63.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.108 1.363 . . . . 0.0 113.192 175.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -105.6 -5.83 19.79 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.524 1.93 . . . . 0.0 112.927 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.78 28.81 70.18 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.707 1.146 . . . . 0.0 113.52 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.4 p -118.14 -8.95 10.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.68 150.14 46.27 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 119.337 0.972 . . . . 0.0 111.49 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -140.03 59.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.779 1.232 . . . . 0.0 112.656 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.32 148.99 19.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 126.701 2.001 . . . . 0.0 110.727 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.22 159.71 49.03 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.154 1.903 . . . . 0.0 109.644 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -51.84 -31.25 26.9 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.079 0.951 . . . . 0.0 112.716 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -68.69 -22.49 64.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.386 2.275 . . . . 0.0 114.838 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -119.97 -19.06 8.0 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.64 160.24 32.55 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.03 0.919 . . . . 0.0 112.077 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.98 -20.44 61.02 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.986 1.714 . . . . 0.0 113.015 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -132.39 -179.95 5.75 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.467 1.907 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 145.6 25.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -120.14 74.97 22.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.896 2.078 . . . . 0.0 110.227 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.18 165.1 31.45 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.21 3.273 . . . . 0.0 114.224 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -100.09 172.71 7.03 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.592 1.557 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.53 -19.15 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.198 0.999 . . . . 0.0 112.991 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 m -89.22 -15.98 32.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.509 1.523 . . . . 0.0 113.539 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.1 m -73.95 149.99 41.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.996 0.816 . . . . 0.0 111.608 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -79.19 51.38 1.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.48 1.112 . . . . 0.0 112.495 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.65 134.25 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.318 1.447 . . . . 0.0 111.232 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -152.84 134.66 14.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.567 1.147 . . . . 0.0 111.131 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 43.01 38.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.296 1.839 . . . . 0.0 115.404 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.34 76.62 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.046 -1.034 . . . . 0.0 115.002 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -134.86 160.94 36.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.393 2.277 . . . . 0.0 110.626 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.53 140.56 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.14 128.01 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.07 23.58 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.378 0.671 . . . . 0.0 112.132 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.34 110.6 3.62 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.539 1.536 . . . . 0.0 111.487 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -52.51 -48.04 66.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.163 1.785 . . . . 0.0 111.173 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.78 -40.48 95.34 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.946 -0.472 . . . . 0.0 111.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.0 t -68.18 -40.78 82.17 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.141 -0.975 . . . . 0.0 111.721 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 79' ' ' LEU . 54.2 mt -59.05 -32.94 70.21 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 112.071 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -83.62 0.21 47.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.17 1.388 . . . . 0.0 112.78 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 8.53 66.92 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.476 1.989 . . . . 0.0 117.138 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -154.97 90.66 1.3 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.449 1.625 . . . . 0.0 112.224 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 t -55.23 144.08 25.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.161 0.984 . . . . 0.0 110.521 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -118.7 19.85 13.06 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.733 1.213 . . . . 0.0 113.531 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -130.17 179.79 5.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.123 2.169 . . . . 0.0 109.967 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -16.7 6.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.039 1.336 . . . . 0.0 113.556 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -157.7 57.46 0.49 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.982 1.713 . . . . 0.0 110.422 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 p -79.76 148.34 31.51 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 122.717 1.246 . . . . 0.0 112.406 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -77.37 -7.67 56.45 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -89.97 169.51 11.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.021 1.328 . . . . 0.0 112.628 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.7 135.15 34.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.862 1.265 . . . . 0.0 111.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.7 104.7 40.4 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -88.42 162.08 6.75 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 123.352 2.701 . . . . 0.0 112.132 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.85 159.57 50.2 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.346 2.697 . . . . 0.0 111.912 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.91 -41.5 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.891 3.727 . . . . 0.0 116.708 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -64.17 -43.1 96.18 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.292 -0.88 . . . . 0.0 112.063 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.67 -33.54 66.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.496 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.45 -44.07 89.07 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.829 1.195 . . . . 0.0 109.75 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.1 m -63.71 -45.14 91.32 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.735 0.814 . . . . 0.0 111.382 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.6 -39.14 90.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.158 0.89 . . . . 0.0 111.284 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 57' ' ' LEU . 2.3 tm? -65.92 -46.14 79.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.724 0.809 . . . . 0.0 110.682 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.59 -35.91 81.05 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.056 -1.028 . . . . 0.0 111.948 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.66 -42.33 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.653 1.115 . . . . 0.0 109.957 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.63 -40.39 96.85 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.648 -0.658 . . . . 0.0 111.287 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.31 -52.0 44.26 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.797 0.713 . . . . 0.0 111.649 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -54.96 -36.42 65.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.051 1.74 . . . . 0.0 113.54 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.67 -29.66 64.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.383 0.992 . . . . 0.0 112.882 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -76.85 -38.37 53.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.806 0.73 . . . . 0.0 111.151 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 " H2'" ' B' ' 103' ' ' ' U' . 3.8 mm? -63.84 -40.67 97.14 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.563 0.62 . . . . 0.0 110.463 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.72 -27.05 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 125.582 1.553 . . . . 0.0 110.204 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 52.07 45.12 28.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.432 2.293 . . . . 0.0 112.06 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.45 -33.33 20.66 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.625 1.57 . . . . 0.0 114.245 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.49 -22.19 66.71 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.13 1.372 . . . . 0.0 113.601 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 126.225 1.81 . . . . 0.0 110.661 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.436 0 C4'-C3'-C2' 100.277 -2.423 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 N19-C1'-C2' 118.05 2.906 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 1 O4'-C1'-N19 116.068 7.868 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.443 2 O4'-C1'-N19 116.082 7.882 . 0.231 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 O4'-C1'-N19 115.743 7.543 . 0.159 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 115.188 6.988 . 0.389 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 P-O3'-C3' 122.247 2.122 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 C3'-C2'-C1' 105.498 4.443 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.407 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.62 2.665 1 P-O3'-C3' 125.226 4.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C3'-C2'-C1' 103.744 2.494 . 0.303 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 112.046 3.846 . 0.396 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.085 1 O4'-C1'-N19 115.558 7.358 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.196 1 O4'-C1'-N19 113.253 5.053 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 1 O4'-C1'-N19 113.355 5.155 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.14 12.12 2.83 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.94 1.696 . . . . 0.0 113.46 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.73 156.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.875 1.27 . . . . 0.0 112.785 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -154.39 168.71 25.75 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.227 1.411 . . . . 0.0 111.544 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.62 159.25 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 126.311 1.844 . . . . 0.0 111.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.7 m -62.44 135.6 95.46 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 123.863 0.865 . . . . 0.0 111.407 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.25 -33.02 53.19 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.079 3.186 . . . . 0.0 115.922 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.1 158.84 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.265 1.826 . . . . 0.0 112.485 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -78.97 171.48 15.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.117 1.767 . . . . 0.0 111.612 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -142.83 99.86 3.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.164 0.985 . . . . 0.0 112.23 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -61.98 -17.27 56.46 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -59.18 -24.37 63.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -83.33 -20.53 34.17 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.69 -16.16 21.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.806 1.642 . . . . 0.0 113.102 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -79.71 149.01 31.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.71 1.596 . . . . 0.0 114.252 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -135.98 137.65 41.48 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.75 2.02 . . . . 0.0 108.978 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -75.66 144.79 41.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 113.703 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -88.01 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.161 2.184 . . . . 0.0 110.803 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.79 134.53 55.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.492 1.117 . . . . 0.0 113.062 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.49 -37.44 87.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 112.348 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.58 -31.52 41.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.116 0.966 . . . . 0.0 111.82 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.63 -42.26 99.49 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -63.55 -16.37 60.61 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.039 1.335 . . . . 0.0 113.404 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -109.21 -0.0 19.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.033 2.133 . . . . 0.0 112.829 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 25.1 75.58 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.01 1.29 . . . . 0.0 114.549 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 p -110.16 -15.29 14.04 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.96 140.1 47.17 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.425 1.012 . . . . 0.0 109.794 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -140.04 59.88 1.56 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.15 0.98 . . . . 0.0 113.589 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -158.47 155.69 25.95 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.54 159.41 52.91 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.134 1.889 . . . . 0.0 111.594 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.66 -38.31 54.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.084 1.354 . . . . 0.0 112.077 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m -61.56 -28.01 69.03 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 113.737 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -97.31 -30.44 12.96 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.647 1.179 . . . . 0.0 112.287 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -74.21 170.02 16.4 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.057 0.932 . . . . 0.0 112.946 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -90.86 -13.39 33.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.803 1.641 . . . . 0.0 113.111 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -136.15 -179.87 5.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.52 1.928 . . . . 0.0 112.175 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.77 147.46 23.8 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -120.12 68.89 13.66 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 127.56 2.344 . . . . 0.0 111.614 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.75 165.13 33.49 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.378 3.385 . . . . 0.0 114.458 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -95.33 169.47 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.836 1.255 . . . . 0.0 111.38 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -19.81 57.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.306 1.043 . . . . 0.0 113.772 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -91.65 -13.53 31.67 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.632 1.573 . . . . 0.0 113.791 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -72.47 158.93 34.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.005 0.82 . . . . 0.0 112.513 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.74 39.95 0.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.165 2.186 . . . . 0.0 113.137 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.7 130.14 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.321 1.448 . . . . 0.0 111.748 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -153.97 139.72 18.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.827 1.251 . . . . 0.0 111.177 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.9 t30 43.8 31.95 0.54 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.599 1.959 . . . . 0.0 115.394 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 10.48 69.37 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 120.782 -1.199 . . . . 0.0 115.951 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 167.2 22.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.999 1.9 . . . . 0.0 112.323 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.77 140.58 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.444 1.097 . . . . 0.0 108.659 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mt -76.57 128.23 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 149.35 32.97 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.033 0.933 . . . . 0.0 113.02 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.95 112.48 7.15 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.515 1.526 . . . . 0.0 111.39 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.08 -46.27 85.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.961 1.305 . . . . 0.0 111.477 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -64.09 -39.26 93.66 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.654 -0.654 . . . . 0.0 112.018 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 t -67.22 -39.73 86.29 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.29 -0.881 . . . . 0.0 111.535 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -59.93 -33.03 71.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.123 0.969 . . . . 0.0 111.99 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.62 0.02 40.37 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.131 1.372 . . . . 0.0 112.84 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 5.96 69.89 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.247 1.88 . . . . 0.0 117.034 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.71 90.51 1.48 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.345 1.573 . . . . 0.0 110.938 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.89 129.7 43.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.052 0.941 . . . . 0.0 110.468 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p -155.91 19.96 0.38 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.737 1.215 . . . . 0.0 113.783 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.74 143.91 49.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.735 1.214 . . . . 0.0 113.406 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.88 -36.88 73.01 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.614 1.166 . . . . 0.0 112.288 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -150.4 95.97 2.33 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.658 1.983 . . . . 0.0 107.317 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.6 t -79.91 112.13 16.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.919 0.866 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -130.84 2.15 4.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 127.547 2.339 . . . . 0.0 112.615 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.02 167.56 12.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.415 1.886 . . . . 0.0 111.764 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.4 tp -84.62 135.29 34.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.182 0.993 . . . . 0.0 111.791 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -98.18 104.73 24.32 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.63 150.79 13.04 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.913 2.409 . . . . 0.0 113.547 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.1 158.94 48.57 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.818 3.012 . . . . 0.0 110.95 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.29 -40.36 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 124.307 3.338 . . . . 0.0 116.24 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.75 -28.37 67.57 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.0 -28.82 23.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.135 0.88 . . . . 0.0 111.189 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -55.37 -35.14 64.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.641 0.655 . . . . 0.0 111.058 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.7 m -58.65 -46.21 87.66 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.302 0.641 . . . . 0.0 112.242 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.39 -36.51 79.24 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.313 -0.867 . . . . 0.0 110.507 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -44.04 97.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.749 . . . . 0.0 110.541 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.96 -44.14 93.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.195 -0.941 . . . . 0.0 111.774 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.09 -48.81 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.761 0.824 . . . . 0.0 110.472 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.1 -46.75 88.55 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 110.823 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.89 -56.36 25.57 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.632 1.111 . . . . 0.0 112.408 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -57.09 -43.54 82.28 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.99 0.916 . . . . 0.0 113.3 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -59.68 -40.67 88.61 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.183 0.447 . . . . 0.0 111.815 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -66.81 -18.04 65.18 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.64 -21.65 66.11 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 121.81 2.096 . . . . 0.0 111.217 171.469 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.1 mt -87.77 -26.23 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 125.743 1.617 . . . . 0.0 111.477 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -125.48 41.65 3.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.066 1.747 . . . . 0.0 113.122 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.96 -26.23 4.04 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -57.96 -30.17 65.78 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.663 1.185 . . . . 0.0 113.252 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 126.681 1.992 . . . . 0.0 109.75 178.28 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.18 1 O4'-C1'-N19 114.067 5.867 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O4'-C1'-N19 111.085 2.885 . 0.505 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.209 3.009 . 0.033 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.461 3.261 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 O4'-C1'-N19 115.188 6.988 . 0.501 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 1 O4'-C1'-N19 112.418 4.218 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O3'-P-O5' 98.566 -2.86 . 0.183 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 2 C3'-C2'-C1' 105.909 4.899 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.226 0 P-O3'-C3' 124.374 3.895 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 2 O4'-C1'-N19 112.428 4.228 . 0.441 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 117.124 8.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.886 3.686 . 0.01 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.507 -3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.912 3.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.118 1 O4'-C1'-N19 112.292 4.092 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.29 166.32 30.33 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.073 1.749 . . . . 0.0 111.913 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.64 162.66 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.867 1.667 . . . . 0.0 111.683 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -153.63 167.77 28.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.465 1.506 . . . . 0.0 111.245 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.61 141.94 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.85 1.66 . . . . 0.0 109.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.3 m -62.39 132.36 94.15 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 125.17 1.388 . . . . 0.0 111.57 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.38 165.93 30.03 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.114 2.543 . . . . 0.0 112.648 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.11 159.99 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.263 1.425 . . . . 0.0 112.202 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -145.27 160.04 42.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.594 1.957 . . . . 0.0 110.958 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -157.58 99.83 1.75 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.938 0.895 . . . . 0.0 112.271 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.2 p -57.11 -18.2 13.87 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.7 -29.45 66.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.515 1.126 . . . . 0.0 113.511 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -83.92 -16.23 45.02 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.442 0.564 . . . . 0.0 112.288 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.48 -17.22 21.65 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.584 1.554 . . . . 0.0 113.057 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -79.78 147.66 31.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 114.038 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.9 mt -130.03 143.38 50.76 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.898 2.079 . . . . 0.0 109.069 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.57 143.87 51.42 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.92 137.83 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.474 1.11 . . . . 0.0 109.27 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.34 131.48 50.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.557 1.143 . . . . 0.0 112.3 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -67.68 -39.45 84.46 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.077 0.951 . . . . 0.0 111.645 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.26 -28.67 64.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.185 0.594 . . . . 0.0 111.654 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.34 -42.54 83.4 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.815 -1.178 . . . . 0.0 110.348 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.29 -38.68 90.98 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.223 1.009 . . . . 0.0 111.233 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.33 -20.37 62.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.516 1.527 . . . . 0.0 112.864 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.06 36.91 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.206 1.384 . . . . 0.0 113.329 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -122.32 -14.6 7.85 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.589 1.556 . . . . 0.0 114.802 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.55 141.44 53.82 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.602 1.092 . . . . 0.0 110.933 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -139.94 59.77 1.57 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.573 1.149 . . . . 0.0 112.539 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -150.25 151.5 31.65 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 127.091 2.156 . . . . 0.0 110.362 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.33 158.9 50.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 122.181 1.921 . . . . 0.0 110.577 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -51.63 -33.2 32.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.396 1.078 . . . . 0.0 112.185 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 -23.43 67.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.827 2.451 . . . . 0.0 114.997 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -116.53 -23.76 8.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.59 161.17 31.12 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 122.099 0.952 . . . . 0.0 112.497 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.35 -20.5 58.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.949 1.7 . . . . 0.0 113.044 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -133.49 -179.78 5.73 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.329 1.852 . . . . 0.0 112.178 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 145.92 24.81 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -119.98 76.42 22.23 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.154 2.182 . . . . 0.0 110.875 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -69.93 165.08 32.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.53 2.82 . . . . 0.0 114.61 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.65 169.42 8.48 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.661 1.984 . . . . 0.0 110.274 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -55.81 -31.66 62.87 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -84.89 -14.17 48.64 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 114.337 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.1 m -69.36 148.37 49.75 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.184 0.902 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -80.45 61.53 4.23 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.958 0.885 . . . . 0.0 112.076 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -66.46 135.02 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 108.511 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -146.96 119.82 8.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.3 1.44 . . . . 0.0 111.249 -174.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.0 t30 43.35 43.43 4.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.013 1.725 . . . . 0.0 114.366 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.83 18.91 78.39 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 121.197 -0.939 . . . . 0.0 115.087 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -128.88 170.03 13.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.396 2.279 . . . . 0.0 109.381 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.66 135.06 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.37 128.1 35.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.68 151.99 24.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.637 0.775 . . . . 0.0 112.347 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.98 111.35 9.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.109 1.364 . . . . 0.0 110.217 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.03 -46.43 75.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.234 1.014 . . . . 0.0 110.919 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.41 -39.6 91.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.958 0.503 . . . . 0.0 111.957 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 t -70.33 -37.65 74.72 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.921 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.69 -28.46 68.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.367 1.067 . . . . 0.0 111.923 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.05 0.52 57.52 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.421 1.488 . . . . 0.0 112.762 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 9.55 65.46 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 126.283 1.897 . . . . 0.0 117.737 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -154.26 89.54 1.29 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.917 1.858 . . . . 0.0 112.479 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -51.25 133.99 28.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.009 1.323 . . . . 0.0 110.582 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.4 m -139.62 33.3 2.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -126.81 141.8 51.72 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.939 -1.101 . . . . 0.0 112.296 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -73.4 -34.97 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.18 1.392 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -119.15 62.71 0.79 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.138 1.775 . . . . 0.0 109.322 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.3 t -79.64 123.61 27.79 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.578 1.18 . . . . 0.0 109.322 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -132.86 8.73 4.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.02 2.528 . . . . 0.0 114.009 -171.092 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -101.03 169.05 9.21 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.316 1.846 . . . . 0.0 111.359 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.58 135.17 34.31 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.115 -0.99 . . . . 0.0 111.334 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -101.68 104.63 36.07 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 172.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.89 152.05 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.481 2.12 . . . . 0.0 113.15 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.75 162.29 41.88 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.262 2.642 . . . . 0.0 110.806 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.85 -40.25 8.1 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.638 3.559 . . . . 0.0 116.781 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.17 -52.23 43.95 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.421 1.009 . . . . 0.0 112.73 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.19 -35.99 81.89 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.439 -0.788 . . . . 0.0 111.607 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -58.41 -46.54 86.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.45 1.5 . . . . 0.0 110.135 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -64.41 -42.66 95.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.317 0.647 . . . . 0.0 111.269 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.12 -38.45 88.98 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.329 0.968 . . . . 0.0 111.192 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.84 -49.67 73.98 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.848 0.859 . . . . 0.0 110.408 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.13 -39.19 89.08 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.608 -0.682 . . . . 0.0 112.094 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.48 -46.35 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.717 0.807 . . . . 0.0 110.196 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.19 -41.61 99.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.231 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.37 90.48 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.109 0.861 . . . . 0.0 112.098 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.43 -42.95 91.9 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.983 0.913 . . . . 0.0 112.086 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.35 -38.94 85.4 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.387 0.539 . . . . 0.0 111.793 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -67.03 -34.0 76.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.391 0.676 . . . . 0.0 112.612 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD11 " H2'" ' B' ' 103' ' ' ' U' . 34.5 mt -68.5 -39.66 81.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.41 0.684 . . . . 0.0 110.822 175.241 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.63 -39.38 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.287 1.035 . . . . 0.0 110.985 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -158.1 124.15 4.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.686 1.194 . . . . 0.0 110.759 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -57.19 -34.07 68.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -67.52 -18.42 65.03 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.284 1.434 . . . . 0.0 112.997 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t30 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 127.247 2.219 . . . . 0.0 109.899 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.925 0 O4'-C1'-N19 110.613 2.413 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.227 0 O4'-C1'-N19 111.768 3.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 1 O4'-C1'-N19 114.467 6.267 . 0.417 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 112.097 3.897 . 0.164 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 O4'-C1'-N19 111.416 3.216 . 0.664 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.286 2 O4'-C1'-N19 115.88 7.68 OUTLIER-DELTA 0.023 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O3'-P-O5' 98.775 -2.75 . 0.053 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 2 C3'-C2'-C1' 105.423 4.359 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.47 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.616 2.293 0 P-O3'-C3' 124.472 3.977 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 1 O4'-C1'-N19 112.647 4.447 . 0.461 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 112.018 3.818 . 0.107 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 1 O4'-C1'-N19 112.296 4.096 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 O4'-C1'-N19 111.038 2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 1 O4'-C1'-N19 114.094 5.894 . 0.076 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.1 0 O4'-C1'-N19 110.951 2.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 CA--C 1.545 0.767 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.57 168.12 25.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.925 1.69 . . . . 0.0 111.978 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.51 163.88 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.072 1.749 . . . . 0.0 111.605 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -61.46 150.69 34.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.661 1.184 . . . . 0.0 112.938 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.83 158.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.652 1.581 . . . . 0.0 111.443 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.0 m -62.51 132.93 94.53 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 124.206 1.002 . . . . 0.0 111.336 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.72 159.51 11.3 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.863 3.042 . . . . 0.0 115.781 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -120.27 160.15 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.724 2.41 . . . . 0.0 111.738 174.671 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HB2' ' C2 ' ' B' ' 102' ' ' ' U' . 0.7 OUTLIER -130.01 -179.85 5.46 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.887 1.675 . . . . 0.0 111.18 178.44 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -65.21 99.63 0.4 Allowed 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.552 1.524 . . . . 0.0 114.887 -172.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -69.92 -14.53 62.76 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.936 -1.728 . . . . 0.0 114.533 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -59.46 -28.91 67.41 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.221 1.008 . . . . 0.0 113.403 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -86.44 -16.55 36.83 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.165 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.91 -14.42 23.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.79 1.636 . . . . 0.0 113.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.85 147.14 31.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.418 1.463 . . . . 0.0 114.071 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.3 mt -130.51 149.24 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.032 2.133 . . . . 0.0 110.099 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.95 139.18 31.43 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.785 1.234 . . . . 0.0 113.943 -175.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.13 139.89 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 110.642 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.54 125.43 23.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.707 0.803 . . . . 0.0 111.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.0 -29.74 70.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.624 0.77 . . . . 0.0 112.868 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.3 -37.25 60.93 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.449 0.568 . . . . 0.0 110.136 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.83 -41.07 96.03 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.555 -1.341 . . . . 0.0 110.612 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.06 -18.99 50.7 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.967 1.707 . . . . 0.0 112.732 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -111.29 0.07 16.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.707 2.003 . . . . 0.0 113.278 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.73 30.08 68.8 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.013 1.292 . . . . 0.0 114.752 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -119.88 -7.85 9.92 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -176.536 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.91 146.54 49.49 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.599 1.09 . . . . 0.0 111.36 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -139.93 59.79 1.57 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.948 1.299 . . . . 0.0 111.916 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -150.45 150.44 28.88 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.93 2.092 . . . . 0.0 110.093 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.13 151.22 49.23 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 122.175 1.917 . . . . 0.0 110.36 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -51.69 -34.0 36.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.455 1.102 . . . . 0.0 112.709 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -64.61 -23.25 67.2 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.423 1.889 . . . . 0.0 114.42 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -120.0 -20.97 7.28 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.68 146.6 51.47 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 118.814 0.734 . . . . 0.0 110.345 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -66.39 -10.16 40.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -136.58 -179.95 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.507 1.923 . . . . 0.0 111.549 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 146.87 24.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.977 0.911 . . . . 0.0 113.195 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -120.11 74.43 21.03 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.107 2.163 . . . . 0.0 109.823 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.4 165.11 32.76 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.968 3.112 . . . . 0.0 114.724 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.9 m -105.45 168.44 9.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.928 1.691 . . . . 0.0 110.582 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -55.58 -25.44 38.28 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -77.17 -14.82 59.72 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.357 1.463 . . . . 0.0 114.09 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -81.13 158.75 24.88 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.206 1.002 . . . . 0.0 112.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -80.54 51.08 1.4 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.501 1.121 . . . . 0.0 112.411 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.13 118.91 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.062 1.345 . . . . 0.0 111.222 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.39 138.96 17.77 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.503 1.121 . . . . 0.0 110.878 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 44.91 34.5 1.24 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.022 1.729 . . . . 0.0 114.97 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 24.42 72.0 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 120.868 -1.145 . . . . 0.0 114.617 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -136.0 160.05 39.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.373 2.269 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.76 140.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.599 1.16 . . . . 0.0 109.006 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -77.5 126.66 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.0 152.11 24.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.451 0.7 . . . . 0.0 112.241 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.97 110.21 7.1 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.126 1.37 . . . . 0.0 110.43 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.47 -40.24 82.17 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.196 -0.94 . . . . 0.0 111.666 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -62.89 -39.74 95.41 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.711 -0.618 . . . . 0.0 111.31 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -68.81 -40.22 79.66 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.055 -1.028 . . . . 0.0 111.681 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.71 -33.01 72.24 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.168 -0.957 . . . . 0.0 111.188 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -78.04 -6.95 56.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.091 1.757 . . . . 0.0 112.466 174.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 10.86 64.09 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 127.026 2.251 . . . . 0.0 117.006 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -156.34 93.97 1.45 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.133 1.466 . . . . 0.0 111.447 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -56.28 139.48 48.02 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.723 1.209 . . . . 0.0 110.348 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 m -136.94 19.93 3.02 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.42 138.54 34.71 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.68 -1.262 . . . . 0.0 111.937 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.12 -35.78 77.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.74 1.616 . . . . 0.0 111.72 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -147.0 92.76 2.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.087 2.155 . . . . 0.0 106.973 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 t -79.84 138.05 37.1 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.767 1.227 . . . . 0.0 110.805 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 19.58 3.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.58 170.09 8.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.331 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -84.67 135.16 34.28 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.931 -1.106 . . . . 0.0 111.964 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -101.33 104.71 35.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -82.25 153.01 16.18 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.617 2.212 . . . . 0.0 114.566 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.74 161.1 39.99 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.0 3.134 . . . . 0.0 110.177 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -44.39 -43.14 13.8 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.13 3.22 . . . . 0.0 116.733 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -65.16 -43.83 90.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.259 0.936 . . . . 0.0 113.121 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -76.66 -32.33 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.596 0.758 . . . . 0.0 110.989 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.29 -37.49 85.72 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.262 1.425 . . . . 0.0 110.406 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -64.88 -43.4 93.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.298 0.639 . . . . 0.0 110.512 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -61.97 -36.08 80.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.822 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.13 -50.38 66.26 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.497 0.719 . . . . 0.0 111.155 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.79 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.888 1.222 . . . . 0.0 112.648 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.01 -44.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.499 -0.751 . . . . 0.0 109.485 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -39.31 92.63 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.533 -0.73 . . . . 0.0 110.594 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.02 -50.81 63.58 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.861 1.219 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -51.51 -52.03 50.19 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.647 1.579 . . . . 0.0 112.426 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.02 -31.06 71.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.77 -16.4 60.72 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.87 -34.55 78.18 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.682 1.583 . . . . 0.0 109.625 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -34.58 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 125.003 1.321 . . . . 0.0 109.274 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -79.84 65.05 4.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.253 1.821 . . . . 0.0 110.37 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -49.95 -21.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.211 2.204 . . . . 0.0 115.267 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.25 -26.53 40.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.485 1.514 . . . . 0.0 113.373 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 111.95 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.178 1 O4'-C1'-N19 114.896 6.696 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 1 O4'-C1'-N19 112.658 4.458 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C3'-C2'-C1' 104.441 3.268 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 O4'-C1'-N19 113.033 4.833 . 0.091 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.561 0 O4'-C1'-N19 110.823 2.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.597 0 O5'-C5'-C4' 115.277 3.626 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 1 P-O3'-C3' 129.301 8.0 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.415 ' C2 ' ' HB2' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.515 2 O4'-C1'-N19 112.587 4.387 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 P-O3'-C3' 123.477 3.148 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 O4'-C1'-C2' 102.575 -2.732 . 0.397 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 112.21 4.01 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 110.931 2.731 . 0.162 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.01 1 O4'-C1'-N19 112.359 4.159 . 0.554 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C1'-O4'-C4' 106.567 -3.37 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O3'-P-O5' 99.851 -2.184 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.22 166.87 28.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.966 1.706 . . . . 0.0 111.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.37 163.51 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.946 1.699 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.7 t -152.61 175.57 12.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.268 1.427 . . . . 0.0 111.569 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.04 157.83 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.442 1.497 . . . . 0.0 113.194 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.45 131.52 93.96 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.745 1.218 . . . . 0.0 111.091 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.19 165.8 31.26 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.174 2.583 . . . . 0.0 112.848 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 tp -120.12 160.03 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.726 1.61 . . . . 0.0 111.73 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -145.41 156.91 44.05 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 127.345 2.258 . . . . 0.0 111.242 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -155.99 100.03 2.01 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.721 1.208 . . . . 0.0 111.189 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -60.18 -17.18 39.17 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -50.46 -32.85 19.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.053 1.741 . . . . 0.0 114.879 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -86.42 -25.08 25.44 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.749 0.704 . . . . 0.0 112.325 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -82.94 -17.75 42.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.285 1.434 . . . . 0.0 112.653 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.84 144.29 33.61 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -133.47 136.35 45.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.088 2.155 . . . . 0.0 109.398 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.66 143.71 57.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.74 140.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.216 1.806 . . . . 0.0 109.78 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.29 126.52 27.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.231 1.013 . . . . 0.0 112.092 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.41 -41.09 88.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.29 1.036 . . . . 0.0 111.544 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.54 -28.94 63.15 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.342 0.657 . . . . 0.0 111.582 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.84 -43.46 71.89 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.935 -1.103 . . . . 0.0 110.012 174.385 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.4 -38.99 89.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.219 1.008 . . . . 0.0 111.02 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -72.51 -18.02 61.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.46 1.504 . . . . 0.0 113.033 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.73 38.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.196 1.379 . . . . 0.0 113.976 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -123.4 -16.88 6.71 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.41 143.36 57.96 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.73 1.15 . . . . 0.0 111.559 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 p -140.12 59.7 1.56 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.728 1.211 . . . . 0.0 112.82 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -148.49 151.6 36.63 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.536 1.935 . . . . 0.0 110.379 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.22 155.97 51.38 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.186 1.924 . . . . 0.0 110.759 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.63 -32.31 41.13 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.347 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -23.75 67.34 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.419 2.288 . . . . 0.0 114.866 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.15 -19.61 7.69 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.04 162.91 28.61 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 122.063 0.935 . . . . 0.0 112.359 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.82 -14.95 59.86 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.913 1.685 . . . . 0.0 114.483 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -142.19 -179.82 6.47 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.189 2.195 . . . . 0.0 111.449 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 148.62 23.14 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -120.07 79.16 25.68 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 127.062 2.145 . . . . 0.0 110.7 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -67.13 165.15 27.48 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 124.036 3.157 . . . . 0.0 114.926 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -105.48 172.11 6.97 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.87 1.668 . . . . 0.0 111.061 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.7 -24.64 64.13 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.166 0.986 . . . . 0.0 112.821 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -89.41 -12.4 40.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.606 1.562 . . . . 0.0 114.365 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -73.5 142.67 46.75 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.63 1.104 . . . . 0.0 112.242 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -80.53 59.63 3.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.19 0.996 . . . . 0.0 111.443 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.09 138.01 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.477 1.511 . . . . 0.0 109.941 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.31 139.7 19.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.736 1.214 . . . . 0.0 112.188 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.9 t30 42.12 37.38 0.85 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 126.132 1.773 . . . . 0.0 115.453 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.06 77.11 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.932 -1.105 . . . . 0.0 115.277 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.21 162.09 30.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.89 2.076 . . . . 0.0 111.065 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.59 137.59 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.79 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.61 130.02 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.347 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.51 149.9 29.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.956 0.903 . . . . 0.0 112.645 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.31 100.48 4.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.727 1.611 . . . . 0.0 109.358 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 87.0 t80 -52.49 -42.78 64.56 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.904 1.282 . . . . 0.0 112.786 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.18 -32.83 74.32 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.705 -0.622 . . . . 0.0 111.798 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 t -71.94 -35.04 69.49 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.257 -0.902 . . . . 0.0 111.431 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.32 -32.97 69.0 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.121 -0.987 . . . . 0.0 111.645 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' ' CZ ' ' A' ' 54' ' ' PHE . 66.3 mttm -83.83 -0.36 50.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.718 1.607 . . . . 0.0 113.376 176.3 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.4 8.85 82.75 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.693 1.616 . . . . 0.0 116.038 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.84 89.08 1.51 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.23 1.515 . . . . 0.0 111.622 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.7 t -57.97 137.27 56.93 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 109.364 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -141.71 19.78 2.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -84.89 162.32 19.52 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 121.097 -1.002 . . . . 0.0 109.399 171.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.01 -41.25 91.27 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.296 -0.878 . . . . 0.0 110.918 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -161.93 100.35 1.12 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.161 2.585 . . . . 0.0 107.543 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.6 p -79.69 152.09 30.12 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 123.522 1.63 . . . . 0.0 113.69 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -118.78 27.75 8.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.704 2.802 . . . . 0.0 112.607 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -129.61 168.75 15.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.342 1.857 . . . . 0.0 113.181 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.77 135.14 34.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.524 1.13 . . . . 0.0 111.824 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -97.98 104.78 23.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.99 149.46 17.65 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.292 1.995 . . . . 0.0 113.415 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.69 161.25 46.65 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.173 2.582 . . . . 0.0 110.514 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.92 -42.18 9.07 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.449 3.432 . . . . 0.0 117.025 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -66.02 -47.39 74.59 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.385 0.993 . . . . 0.0 113.039 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 mt -71.28 -34.48 70.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.529 -0.732 . . . . 0.0 111.34 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -60.54 -43.32 97.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 110.526 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -63.51 -43.05 98.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.474 0.709 . . . . 0.0 110.84 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -61.99 -37.22 84.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.898 0.772 . . . . 0.0 111.073 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -48.81 74.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 110.37 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.13 -39.26 81.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.538 -0.727 . . . . 0.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.08 -46.01 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.594 0.757 . . . . 0.0 110.141 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -39.81 93.99 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.659 -0.65 . . . . 0.0 111.157 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.5 -56.52 16.86 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.513 1.054 . . . . 0.0 110.985 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -52.52 -45.16 66.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.569 1.148 . . . . 0.0 112.206 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.23 -42.45 98.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.947 0.499 . . . . 0.0 111.27 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -67.57 -30.45 70.07 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 118.039 -0.981 . . . . 0.0 113.612 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.85 -40.19 95.99 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.686 1.585 . . . . 0.0 109.757 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.82 -39.47 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.931 0.892 . . . . 0.0 110.276 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -77.27 46.78 0.52 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.546 1.938 . . . . 0.0 112.207 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -50.19 -21.74 1.44 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.236 2.615 . . . . 0.0 115.456 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -63.28 -26.15 68.64 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.253 1.421 . . . . 0.0 112.734 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 125.191 1.396 . . . . 0.0 112.103 178.905 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.223 0 C4'-C3'-C2' 99.971 -2.729 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 O4'-C1'-N19 112.705 4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 O4'-C1'-N19 111.062 2.862 . 0.664 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 O3'-P-O5' 99.68 -2.273 . 0.643 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 111.293 3.093 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 1 O4'-C1'-N19 114.588 6.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 112.06 3.86 . 0.501 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.906 3.706 . 0.026 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.332 0 O4'-C1'-N19 112.076 3.876 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C5'-C4'-O4' 113.611 3.151 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O3'-P-O5' 98.971 -2.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 2 C1'-O4'-C4' 104.837 -5.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 O4'-C1'-N19 112.619 4.419 . 0.013 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.342 0 O4'-C1'-N19 111.001 2.801 . 0.36 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 110.811 2.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.69 12.66 2.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.803 1.641 . . . . 0.0 113.582 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.41 163.51 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.26 1.824 . . . . 0.0 111.593 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 m -144.11 160.73 40.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.284 1.434 . . . . 0.0 111.861 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.23 159.58 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.447 1.099 . . . . 0.0 112.727 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -62.5 132.95 94.52 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 124.617 1.167 . . . . 0.0 111.488 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 158.3 8.8 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.889 3.059 . . . . 0.0 114.937 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.12 158.53 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.832 1.253 . . . . 0.0 113.348 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -146.36 -179.98 7.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 129.375 3.07 . . . . 0.0 109.716 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.23 99.93 2.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.324 0.966 . . . . 0.0 113.028 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -63.26 -18.78 63.94 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.118 -1.613 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.79 -35.51 76.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.183 0.993 . . . . 0.0 113.076 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -76.81 -17.16 59.19 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.888 0.767 . . . . 0.0 112.072 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.7 -17.0 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.54 1.536 . . . . 0.0 113.493 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.75 144.74 33.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.774 1.624 . . . . 0.0 113.559 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.63 144.78 51.66 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.251 1.82 . . . . 0.0 109.31 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -82.7 142.88 31.32 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.37 140.06 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.914 1.686 . . . . 0.0 110.103 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.37 128.45 37.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.006 0.922 . . . . 0.0 112.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.65 -33.44 71.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.513 1.125 . . . . 0.0 112.828 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.92 -30.88 40.12 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.565 0.746 . . . . 0.0 111.377 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.83 -39.19 90.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.709 -1.244 . . . . 0.0 110.507 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.01 -16.27 50.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.605 1.162 . . . . 0.0 113.367 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -111.52 0.08 16.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.719 2.008 . . . . 0.0 112.653 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.97 77.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.957 1.265 . . . . 0.0 114.744 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.5 p -104.2 -23.66 13.23 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.714 1.257 . . . . 0.0 114.03 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.56 130.83 43.52 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.458 1.027 . . . . 0.0 109.545 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -137.28 59.78 1.67 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.034 0.934 . . . . 0.0 112.568 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -151.62 155.46 34.12 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.825 2.45 . . . . 0.0 109.46 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.25 153.27 71.51 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.179 1.919 . . . . 0.0 111.163 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.09 -28.7 54.47 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.032 0.933 . . . . 0.0 113.409 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -65.5 -31.87 73.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.69 1.196 . . . . 0.0 112.423 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.54 -37.56 16.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.683 1.193 . . . . 0.0 111.359 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.05 170.07 12.14 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.658 1.183 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -95.5 -5.57 42.56 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.657 1.583 . . . . 0.0 114.401 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.51 -179.96 6.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.702 2.001 . . . . 0.0 111.277 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 147.06 23.99 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.366 -0.834 . . . . 0.0 112.992 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.08 77.67 24.28 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.391 1.876 . . . . 0.0 110.025 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -67.09 165.14 27.46 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.151 3.234 . . . . 0.0 114.298 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -105.4 167.84 9.48 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.872 1.669 . . . . 0.0 110.776 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -55.7 -25.98 42.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -82.08 -21.65 36.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.27 1.428 . . . . 0.0 113.486 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.5 m -69.08 141.51 54.72 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.454 -0.779 . . . . 0.0 110.374 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -82.2 58.06 3.85 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.149 0.975 . . . . 0.0 111.966 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.84 134.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.503 1.921 . . . . 0.0 110.201 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -150.13 129.75 13.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.409 1.084 . . . . 0.0 112.051 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 44.21 38.0 2.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.106 1.763 . . . . 0.0 115.381 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.1 11.14 81.63 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -134.95 166.4 23.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.257 1.823 . . . . 0.0 110.998 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.65 139.44 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -74.89 126.0 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 152.1 26.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.565 0.746 . . . . 0.0 112.541 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.3 t -71.0 110.47 5.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.917 1.287 . . . . 0.0 110.934 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.43 -40.28 86.24 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.901 1.28 . . . . 0.0 111.608 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.31 -42.99 92.45 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 111.182 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -66.58 -37.89 85.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.282 -0.886 . . . . 0.0 111.942 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -33.03 72.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.56 1.144 . . . . 0.0 112.16 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.54 3.34 37.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.797 1.239 . . . . 0.0 112.756 174.222 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 7.67 67.93 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.314 1.911 . . . . 0.0 117.408 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -153.16 89.26 1.35 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.836 1.818 . . . . 0.0 112.795 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.72 130.26 45.61 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 109.594 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 p -155.55 19.95 0.4 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -73.2 145.96 45.87 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.843 -1.16 . . . . 0.0 111.478 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -53.59 -39.62 65.02 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 113.386 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -148.27 91.39 1.9 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.861 1.665 . . . . 0.0 108.572 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.92 126.44 31.01 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.136 0.974 . . . . 0.0 111.737 -176.61 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.11 9.83 3.83 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.149 2.18 . . . . 0.0 113.877 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -89.93 170.21 10.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.549 1.939 . . . . 0.0 111.83 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.63 135.12 34.31 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.065 -1.022 . . . . 0.0 111.05 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -100.36 104.78 32.33 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -77.5 162.42 30.55 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.542 2.161 . . . . 0.0 113.558 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.54 158.24 56.51 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.953 2.435 . . . . 0.0 109.781 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.39 -41.93 17.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.148 3.232 . . . . 0.0 116.23 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -66.37 -42.22 88.29 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.403 -0.811 . . . . 0.0 113.001 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 45.5 mt -72.26 -35.81 68.87 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.917 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -58.62 -44.0 89.85 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.636 1.107 . . . . 0.0 110.143 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 m -62.99 -44.87 94.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.051 0.54 . . . . 0.0 111.06 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -62.08 -41.89 98.64 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.198 0.908 . . . . 0.0 111.005 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -48.21 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.672 1.189 . . . . 0.0 110.507 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.7 -33.22 75.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.465 -0.772 . . . . 0.0 112.77 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.26 -46.4 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.417 1.008 . . . . 0.0 109.621 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -59.42 -43.36 93.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.851 0.86 . . . . 0.0 110.288 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -51.37 57.41 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.698 1.142 . . . . 0.0 112.008 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -48.37 67.15 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.716 1.258 . . . . 0.0 112.835 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.07 -26.68 67.81 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.446 0.698 . . . . 0.0 112.668 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -79.96 -25.03 40.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.025 0.829 . . . . 0.0 112.391 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.47 -23.55 67.45 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.114 1.325 . . . . 0.0 112.198 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.1 -21.06 28.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.726 1.21 . . . . 0.0 110.824 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 49.95 54.8 10.43 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.504 1.922 . . . . 0.0 114.153 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -50.27 -31.7 14.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.364 1.865 . . . . 0.0 112.869 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -58.96 -26.77 64.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.049 2.14 . . . . 0.0 114.918 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 127.349 2.26 . . . . 0.0 113.966 -179.635 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.172 0 O4'-C1'-N19 110.432 2.232 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.015 0 O4'-C1'-N19 112.194 3.994 . 0.514 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.334 1 O4'-C1'-N19 113.243 5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 O4'-C1'-N19 111.137 2.937 . 0.207 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C4'-C3'-C2' 99.18 -3.52 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O3'-P-O5' 98.201 -3.052 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O3'-P-O5' 97.699 -3.316 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 O4'-C1'-N19 111.811 3.611 . 0.035 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 2 O4'-C1'-N19 114.99 6.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 110.364 2.164 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C5'-C4'-O4' 112.886 2.633 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.122 2.922 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.945 3.745 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.709 1 O4'-C1'-N19 112.763 4.563 . 0.092 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C4'-C3' 108.875 2.411 . 0.256 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 mtt . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.0 -12.91 61.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.73 175.82 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.779 1.632 . . . . 0.0 111.917 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -59.53 -9.25 2.38 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.763 2.135 . . . . 0.0 116.763 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 m -138.83 161.03 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 126.69 1.996 . . . . 0.0 110.514 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -62.51 115.58 17.48 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 123.753 0.821 . . . . 0.0 111.322 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.41 178.16 6.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.553 2.835 . . . . 0.0 111.893 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.01 157.86 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -140.08 147.95 41.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.268 1.827 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -159.62 99.96 1.45 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.809 1.244 . . . . 0.0 111.249 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -56.04 -13.77 2.16 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.93 -30.8 66.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.658 1.183 . . . . 0.0 112.961 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -82.64 -26.51 32.12 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.646 . . . . 0.0 112.028 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -83.69 -14.84 50.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.949 1.3 . . . . 0.0 112.589 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 149.02 31.12 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.471 1.487 . . . . 0.0 114.11 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -132.52 139.77 48.04 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.548 2.339 . . . . 0.0 108.561 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -71.51 148.04 47.14 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.956 0.884 . . . . 0.0 113.36 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -98.45 140.0 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.255 1.822 . . . . 0.0 110.178 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.32 133.17 55.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.662 0.785 . . . . 0.0 112.105 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -66.96 -42.62 84.87 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.322 -0.861 . . . . 0.0 111.897 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.19 -30.36 70.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.471 0.708 . . . . 0.0 111.758 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.64 -40.39 92.45 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.25 -31.98 72.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.124 0.97 . . . . 0.0 111.711 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -79.67 -14.64 58.64 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 0.0 112.753 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.18 43.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.157 1.36 . . . . 0.0 113.618 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -122.15 -13.9 8.06 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.37 147.04 53.89 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 119.865 1.211 . . . . 0.0 111.422 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -140.09 59.8 1.56 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.467 1.107 . . . . 0.0 113.87 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -153.11 151.64 26.44 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 126.492 1.917 . . . . 0.0 111.086 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.75 157.07 52.55 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.895 1.73 . . . . 0.0 108.601 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.04 -28.13 36.56 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.074 -1.017 . . . . 0.0 113.442 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -64.66 -26.95 68.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.948 1.699 . . . . 0.0 113.389 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -113.68 -16.41 12.32 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.563 1.145 . . . . 0.0 113.933 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.5 t -79.79 170.09 17.01 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -82.12 -15.71 52.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.261 1.424 . . . . 0.0 113.729 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -139.61 -179.72 6.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.637 1.975 . . . . 0.0 112.075 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.6 148.38 23.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.438 -0.789 . . . . 0.0 112.733 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -120.28 81.21 29.46 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.584 1.954 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.26 165.03 30.09 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 124.238 3.292 . . . . 0.0 114.991 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.3 m -105.38 166.86 10.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.949 1.7 . . . . 0.0 110.02 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -55.61 -30.49 60.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.448 1.099 . . . . 0.0 113.672 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.1 m -78.41 -13.98 59.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.722 1.609 . . . . 0.0 114.568 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -77.78 149.02 34.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.565 1.075 . . . . 0.0 112.266 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -79.05 61.75 3.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.103 0.961 . . . . 0.0 111.889 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.09 130.16 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.65 1.18 . . . . 0.0 109.438 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -150.79 136.19 17.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.327 1.451 . . . . 0.0 111.38 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.2 33.16 3.48 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.798 1.639 . . . . 0.0 114.959 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.256 -0.903 . . . . 0.0 113.672 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 mtm-85 -139.01 170.12 16.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.702 2.401 . . . . 0.0 111.153 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.41 138.14 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 51' ' ' ILE . 3.6 mp -72.52 125.28 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.14 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.86 151.9 38.96 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.574 -0.704 . . . . 0.0 112.494 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.04 101.8 7.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.703 1.601 . . . . 0.0 110.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -36.95 74.16 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.995 -1.066 . . . . 0.0 110.346 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -40.0 69.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.654 1.582 . . . . 0.0 110.823 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t -76.04 -41.82 49.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.281 1.432 . . . . 0.0 112.937 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.87 -33.13 68.37 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.86 1.209 . . . . 0.0 111.708 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -81.15 -5.02 57.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.965 1.306 . . . . 0.0 113.288 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.8 25.98 59.38 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 117.226 1.65 . . . . 0.0 117.226 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.43 26.75 1.04 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 t -44.7 121.84 2.89 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 113.001 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -146.31 20.12 1.38 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.31 139.47 58.16 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.753 -1.217 . . . . 0.0 112.711 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.56 -26.43 67.12 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.433 1.093 . . . . 0.0 113.699 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -144.1 77.93 1.56 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.554 1.942 . . . . 0.0 108.573 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.64 119.78 23.07 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 122.096 0.95 . . . . 0.0 109.376 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -129.07 14.13 6.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.467 2.307 . . . . 0.0 114.365 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -112.46 166.75 11.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.607 1.563 . . . . 0.0 111.42 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.76 135.1 34.27 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.943 -1.098 . . . . 0.0 111.963 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -95.52 104.93 17.48 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.04 141.97 15.16 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.488 2.126 . . . . 0.0 115.082 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.21 163.85 35.58 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 123.837 3.025 . . . . 0.0 109.935 171.536 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -42.92 -42.82 9.25 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.681 3.587 . . . . 0.0 117.433 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -66.3 -37.6 85.79 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.077 -1.014 . . . . 0.0 112.704 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.36 -28.18 41.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.499 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -39.48 79.94 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.32 1.418 . . . . 0.0 110.141 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -65.83 -44.43 85.59 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.104 0.561 . . . . 0.0 110.602 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -60.42 -43.46 96.73 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 111.12 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.11 -47.28 85.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.644 1.578 . . . . 0.0 110.012 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.09 -45.75 93.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.38 0.672 . . . . 0.0 111.577 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.14 -46.81 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.94 0.896 . . . . 0.0 110.654 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -59.89 -44.25 94.33 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.956 0.902 . . . . 0.0 110.681 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.49 -53.4 44.33 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.685 1.136 . . . . 0.0 112.771 176.645 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -60.83 -43.53 98.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.566 1.183 . . . . 0.0 112.085 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.16 -41.89 80.06 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.196 0.907 . . . . 0.0 111.667 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -66.79 -33.23 75.17 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.704 0.802 . . . . 0.0 112.724 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.791 HD11 " H2'" ' B' ' 103' ' ' ' U' . 78.5 mt -70.1 -38.84 75.74 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.333 0.969 . . . . 0.0 111.223 174.511 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.4 mt -72.63 -32.46 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.908 1.283 . . . . 0.0 111.794 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 59.07 46.89 12.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.804 1.641 . . . . 0.0 111.842 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -53.73 -25.72 19.97 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -72.02 -18.7 61.94 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.575 1.55 . . . . 0.0 113.912 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 CA--C 1.545 0.777 0 C-N-CA 125.855 1.662 . . . . 0.0 112.641 -178.767 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 2 O4'-C1'-N19 112.965 4.765 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.625 0 P-O3'-C3' 122.702 2.502 . 0.01 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 O4'-C1'-C2' 101.055 -3.818 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 1 O4'-C1'-N19 112.905 4.705 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 1 O4'-C1'-N19 113.283 5.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 1 O4'-C1'-N19 112.895 4.695 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 110.997 2.797 . 0.178 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 1 C3'-C2'-C1' 106.056 5.062 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.791 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.464 2 O4'-C1'-N19 114.344 6.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C1'-O4'-C4' 106.16 -3.823 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C1'-O4'-C4' 106.284 -3.684 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O3'-P-O5' 99.325 -2.46 . 0.312 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 O3'-P-O5' 98.406 -2.944 . 0.391 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 2 O4'-C1'-N19 115.757 7.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 1 O4'-C1'-N19 113.156 4.956 . 0.048 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.62 162.74 39.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.983 1.713 . . . . 0.0 111.803 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -153.32 161.05 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.441 1.496 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -64.44 -3.58 3.13 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.01 149.31 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.051 1.34 . . . . 0.0 111.39 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 m -62.37 135.99 95.53 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.191 1.396 . . . . 0.0 111.87 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -57.5 170.07 2.0 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.486 2.791 . . . . 0.0 114.73 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 pt -79.83 160.1 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.11 1.364 . . . . 0.0 112.216 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -127.6 132.45 49.79 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.135 1.374 . . . . 0.0 110.315 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.57 108.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.245 1.418 . . . . 0.0 111.047 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -54.45 -17.15 2.81 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.39 -28.85 69.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.54 1.136 . . . . 0.0 112.605 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -85.57 -25.61 26.62 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.925 0.784 . . . . 0.0 112.043 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.81 -18.73 39.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.702 1.201 . . . . 0.0 113.247 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.97 152.21 29.63 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.227 1.376 . . . . 0.0 114.238 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.01 151.66 51.01 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.587 1.955 . . . . 0.0 109.134 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -93.22 139.54 30.5 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.346 1.058 . . . . 0.0 113.241 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -82.93 140.05 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.797 1.639 . . . . 0.0 110.324 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.0 t -58.63 132.91 55.22 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.166 0.986 . . . . 0.0 111.819 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -65.77 -43.62 88.26 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.14 -0.975 . . . . 0.0 111.351 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.87 -25.57 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.338 0.655 . . . . 0.0 112.028 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -70.69 -44.57 66.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.698 -1.251 . . . . 0.0 110.369 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.37 -36.87 85.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.25 -19.42 63.13 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.758 2.023 . . . . 0.0 112.919 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 31.46 39.17 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.297 1.427 . . . . 0.0 114.112 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 p -128.93 -14.19 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -61.09 140.31 57.9 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.048 1.295 . . . . 0.0 111.399 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -137.52 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 111.774 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -147.84 147.43 27.02 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 126.922 2.089 . . . . 0.0 109.897 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.25 152.37 55.69 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 122.039 1.826 . . . . 0.0 110.198 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -52.27 -32.77 38.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.473 1.109 . . . . 0.0 112.866 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -67.41 -19.92 65.45 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.17 2.188 . . . . 0.0 114.359 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -119.96 -25.11 5.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.658 1.183 . . . . 0.0 113.493 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.64 151.96 46.01 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.495 0.664 . . . . 0.0 111.692 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -69.12 -12.61 61.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.458 1.503 . . . . 0.0 114.62 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -138.59 -179.95 6.11 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.213 1.805 . . . . 0.0 111.988 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.21 24.63 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.622 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -120.09 72.25 17.7 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 126.989 2.116 . . . . 0.0 110.437 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.07 165.07 31.46 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.861 3.041 . . . . 0.0 113.363 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -105.45 176.99 4.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.626 1.17 . . . . 0.0 111.918 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.1 -25.44 63.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.333 1.453 . . . . 0.0 113.967 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m -79.34 -18.46 52.44 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.528 1.531 . . . . 0.0 113.718 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.6 m -79.25 148.99 31.99 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.998 0.817 . . . . 0.0 111.698 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 46.87 0.43 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.829 1.252 . . . . 0.0 113.207 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.42 128.11 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.036 1.334 . . . . 0.0 111.295 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -150.13 132.95 15.99 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 111.283 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.9 t30 45.33 37.92 3.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.903 1.681 . . . . 0.0 115.04 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.45 13.77 83.19 Favored Glycine 0 CA--C 1.537 1.425 0 O-C-N 121.149 -0.97 . . . . 0.0 115.206 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -129.7 160.35 33.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.287 1.835 . . . . 0.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.23 138.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -79.19 129.15 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.37 152.03 30.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.611 0.764 . . . . 0.0 112.438 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.8 106.12 6.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.087 1.355 . . . . 0.0 110.48 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.71 -40.6 84.18 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.374 -0.829 . . . . 0.0 110.808 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.38 -44.5 95.56 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.738 -0.601 . . . . 0.0 111.192 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -66.59 -40.36 88.86 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.13 -0.981 . . . . 0.0 111.827 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.05 -33.11 72.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.196 0.998 . . . . 0.0 111.515 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -75.95 -5.7 47.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.527 1.531 . . . . 0.0 112.409 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.04 10.02 64.99 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.957 2.217 . . . . 0.0 115.918 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -155.65 92.52 1.39 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.041 1.421 . . . . 0.0 112.294 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -52.95 143.77 16.35 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.571 1.149 . . . . 0.0 110.237 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -134.37 38.44 3.11 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -130.16 140.23 50.79 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.097 1.359 . . . . 0.0 112.473 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.6 -26.08 59.68 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.957 0.903 . . . . 0.0 111.146 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -144.23 83.89 1.75 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.289 2.236 . . . . 0.0 108.489 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 t -79.76 147.1 31.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.705 1.202 . . . . 0.0 111.203 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -131.71 -3.79 3.69 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.936 1.695 . . . . 0.0 115.332 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -89.95 168.9 11.66 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.497 1.119 . . . . 0.0 110.478 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 tp -84.68 135.11 34.29 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.128 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -101.19 104.8 35.32 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 147.98 13.37 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.461 2.107 . . . . 0.0 113.962 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.02 161.42 44.83 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 109.86 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.0 -40.87 8.9 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.492 3.462 . . . . 0.0 116.699 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -67.49 -46.81 71.84 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.118 1.326 . . . . 0.0 113.124 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.34 -34.0 70.12 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.318 -0.864 . . . . 0.0 110.894 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -61.55 -38.25 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.299 1.44 . . . . 0.0 111.033 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -66.89 -41.75 86.67 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.528 0.731 . . . . 0.0 110.342 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.12 -40.82 97.2 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.477 -0.764 . . . . 0.0 110.477 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -48.67 80.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.569 1.548 . . . . 0.0 110.293 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -57.32 -45.89 83.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.414 1.086 . . . . 0.0 111.745 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.56 -45.24 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.911 0.884 . . . . 0.0 110.754 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -65.11 -32.77 74.64 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.637 -0.664 . . . . 0.0 112.523 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -79.73 -51.86 4.96 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.048 0.832 . . . . 0.0 114.125 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -65.13 -34.13 77.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.136 1.468 . . . . 0.0 114.608 -176.158 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.23 -30.38 67.43 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.498 -0.751 . . . . 0.0 111.022 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.45 -42.69 92.09 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 117.073 -1.441 . . . . 0.0 112.86 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.319 1.9 pt? -75.67 -23.78 56.27 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.344 1.884 . . . . 0.0 112.946 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.8 -23.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.376 1.071 . . . . 0.0 110.476 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.44 41.87 30.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.084 1.754 . . . . 0.0 112.693 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -50.34 -23.71 2.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.25 -26.56 68.45 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.977 1.311 . . . . 0.0 112.834 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 127.113 2.165 . . . . 0.0 114.129 179.165 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.466 0 C4'-C3'-C2' 100.291 -2.409 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.343 3.143 . 0.595 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O3'-P-O5' 99.456 -2.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 O4'-C1'-N19 110.957 2.757 . 0.042 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 O4'-C1'-N19 111.697 3.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.834 1 O4'-C1'-N19 113.548 5.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.9 -2.8 . 0.206 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 2 O4'-C1'-N19 113.121 4.921 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 P-O3'-C3' 123.845 3.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 113.158 4.958 . 0.887 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 P-O3'-C3' 124.401 3.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.937 2.737 . 0.654 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 110.065 1.865 . 0.262 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.393 3.193 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 O4'-C1'-N19 112.623 4.423 . 0.064 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.8 159.09 26.05 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.97 1.308 . . . . 0.0 113.085 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -140.4 147.66 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.778 1.631 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -65.11 -11.82 44.17 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.61 159.43 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.683 1.993 . . . . 0.0 109.999 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -62.4 126.72 88.65 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.633 1.173 . . . . 0.0 111.097 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -52.76 -33.21 59.13 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 124.301 3.334 . . . . 0.0 115.825 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' H ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -120.02 160.06 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 127.36 2.264 . . . . 0.0 110.982 178.697 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -38.12 103.03 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.565 1.946 . . . . 0.0 113.826 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.73 99.98 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.992 2.517 . . . . 0.0 117.005 -171.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.23 -17.45 53.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.849 -1.782 . . . . 0.0 114.009 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -27.64 68.4 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.941 -1.099 . . . . 0.0 113.853 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.4 -10.94 59.77 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.578 0.626 . . . . 0.0 111.761 173.156 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.98 -14.16 14.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.297 1.839 . . . . 0.0 113.462 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -79.9 150.9 30.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.471 1.487 . . . . 0.0 113.879 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -133.93 141.81 47.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.615 1.966 . . . . 0.0 109.722 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -74.51 139.1 43.59 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.093 1.357 . . . . 0.0 114.053 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -84.96 140.06 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.642 1.977 . . . . 0.0 110.543 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.88 131.96 51.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.774 1.273 . . . . 0.0 112.536 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.7 -35.62 77.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.272 1.429 . . . . 0.0 111.413 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.78 -29.49 50.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.25 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -65.97 -43.14 88.74 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.815 -1.178 . . . . 0.0 110.17 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.52 -33.9 76.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.183 0.993 . . . . 0.0 111.61 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -73.3 -17.36 61.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.066 1.347 . . . . 0.0 112.336 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.17 28.18 50.11 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.199 1.381 . . . . 0.0 113.336 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -118.2 -21.61 8.1 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.31 134.46 46.78 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.871 1.214 . . . . 0.0 110.667 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 p -140.12 59.79 1.56 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.714 1.205 . . . . 0.0 112.957 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -148.91 155.36 40.69 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 126.005 1.722 . . . . 0.0 111.679 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.15 158.55 57.32 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.478 2.119 . . . . 0.0 109.986 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.81 -32.44 44.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 113.599 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -67.52 -30.35 69.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.061 1.344 . . . . 0.0 114.343 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -93.56 0.02 56.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.233 1.413 . . . . 0.0 112.223 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -116.67 170.15 8.81 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.463 1.905 . . . . 0.0 111.934 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -99.67 -5.19 29.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.59 1.556 . . . . 0.0 114.81 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.53 -179.89 6.42 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.38 1.872 . . . . 0.0 111.716 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.8 148.15 23.38 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -120.2 71.64 17.31 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 127.403 2.281 . . . . 0.0 112.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -73.67 165.15 33.05 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.669 3.579 . . . . 0.0 114.784 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -96.3 169.69 9.76 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.148 1.379 . . . . 0.0 111.132 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.14 -20.55 58.93 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -91.63 -12.13 35.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 114.052 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -72.92 163.28 28.38 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.43 46.3 0.19 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.375 1.87 . . . . 0.0 112.72 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.37 123.68 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.44 139.84 17.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.151 1.38 . . . . 0.0 111.608 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 44.75 35.64 1.53 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.855 1.662 . . . . 0.0 115.258 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 14.28 82.3 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.022 -1.049 . . . . 0.0 115.11 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.53 166.44 21.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.995 2.118 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.61 139.03 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.83 125.19 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.21 151.15 22.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.538 0.735 . . . . 0.0 112.363 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.2 t -69.86 110.39 4.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CE2' ' HE3' ' A' ' 58' ' ' LYS . 2.7 t80 -51.96 -47.25 64.88 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.641 1.577 . . . . 0.0 110.803 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -63.01 -40.8 98.84 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -69.52 -39.12 77.71 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.918 -1.114 . . . . 0.0 112.037 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.94 -26.17 61.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.219 1.408 . . . . 0.0 112.608 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -97.45 2.03 49.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 112.893 176.151 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.23 66.03 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.325 1.917 . . . . 0.0 117.694 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -154.33 92.5 1.51 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.497 1.648 . . . . 0.0 112.048 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -53.8 147.88 11.11 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.462 1.505 . . . . 0.0 111.727 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -124.62 19.94 8.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -130.2 149.27 51.98 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.864 1.266 . . . . 0.0 110.36 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.91 -31.24 72.38 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.596 -0.69 . . . . 0.0 110.867 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -159.59 131.42 6.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.418 2.687 . . . . 0.0 107.512 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.87 151.99 49.84 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.281 1.433 . . . . 0.0 113.213 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -81.95 -5.57 58.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.454 1.902 . . . . 0.0 115.343 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -90.15 169.71 10.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.775 1.23 . . . . 0.0 114.138 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.73 135.22 34.23 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.253 1.421 . . . . 0.0 110.745 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.2 104.77 31.67 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -83.1 159.02 15.45 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.847 2.365 . . . . 0.0 114.47 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -70.79 158.12 56.49 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.751 2.968 . . . . 0.0 110.71 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -44.61 -42.25 14.5 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 124.494 3.463 . . . . 0.0 116.624 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -66.37 -49.13 67.92 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.036 0.835 . . . . 0.0 112.775 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.91 -35.67 78.87 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.545 -0.722 . . . . 0.0 111.486 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -58.66 -46.22 87.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.482 1.113 . . . . 0.0 110.483 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.9 m -64.08 -44.48 92.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.276 0.63 . . . . 0.0 111.209 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -61.37 -38.28 86.44 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.036 0.835 . . . . 0.0 111.552 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.42 -47.3 79.65 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.023 0.929 . . . . 0.0 110.538 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.15 -39.85 87.8 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.33 -43.69 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.003 0.921 . . . . 0.0 110.312 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.34 -39.09 93.59 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.452 -0.78 . . . . 0.0 111.445 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.68 -50.37 68.34 Favored Glycine 0 CA--C 1.532 1.148 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.14 -42.98 91.98 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.707 0.803 . . . . 0.0 112.214 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -58.52 -36.02 73.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.878 0.763 . . . . 0.0 112.673 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -69.94 -41.49 74.49 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.824 -0.548 . . . . 0.0 110.933 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.867 HD11 " H2'" ' B' ' 103' ' ' ' U' . 92.9 mt -66.11 -32.5 73.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.554 0.742 . . . . 0.0 112.246 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.06 -14.75 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 126.056 1.742 . . . . 0.0 111.063 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 63.97 37.88 9.08 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.799 2.039 . . . . 0.0 114.02 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -50.55 -30.31 12.79 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -59.63 -30.25 68.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.506 1.523 . . . . 0.0 113.542 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 124.549 1.14 . . . . 0.0 112.025 179.613 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.46 0 O4'-C1'-N19 110.647 2.447 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 O4'-C1'-N19 111.434 3.234 . 0.04 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 110.904 2.704 . 0.148 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.494 4.294 . 0.043 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 O4'-C1'-N19 113.93 5.73 . 0.011 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C1'-O4'-C4' 106.749 -3.168 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O3'-P-O5' 99.517 -2.36 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 2 C3'-C2'-C1' 106.277 5.308 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.867 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.617 2.428 2 O4'-C1'-N19 115.67 7.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.454 1 O4'-C1'-N19 113.594 5.394 . 0.436 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 3 O4'-C1'-N19 117.796 9.596 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.639 4.439 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.139 2.939 . 0.025 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 111.644 3.444 . 0.102 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 110.967 2.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.84 173.42 16.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.867 1.667 . . . . 0.0 111.84 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.27 148.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.807 1.643 . . . . 0.0 110.754 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -63.0 -17.6 62.36 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 m -142.3 160.89 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.036 1.734 . . . . 0.0 111.183 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 m -62.42 133.75 94.69 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 123.905 0.882 . . . . 0.0 110.685 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.52 160.9 43.65 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.909 2.406 . . . . 0.0 113.022 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.95 159.65 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.242 1.017 . . . . 0.0 112.605 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -75.74 147.14 39.54 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.816 1.246 . . . . 0.0 111.337 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.52 99.95 1.92 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.674 1.19 . . . . 0.0 111.512 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -53.47 -21.36 6.07 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -62.49 -28.39 69.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.527 1.131 . . . . 0.0 113.654 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -82.36 -13.73 56.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.476 0.58 . . . . 0.0 112.111 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.81 -14.8 15.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 113.532 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 p -79.84 150.25 30.73 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -134.69 138.29 44.29 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.942 2.097 . . . . 0.0 108.622 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.76 148.62 36.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.95 140.01 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 126.55 1.94 . . . . 0.0 110.319 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.77 134.52 56.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.282 1.033 . . . . 0.0 112.215 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.03 -42.09 81.15 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.227 -0.92 . . . . 0.0 111.404 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.75 -30.01 69.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.09 0.556 . . . . 0.0 111.203 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -67.52 -44.39 78.49 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.759 -1.213 . . . . 0.0 110.669 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.24 -35.35 80.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.998 0.919 . . . . 0.0 111.516 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -76.59 -13.14 60.09 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.369 1.468 . . . . 0.0 113.402 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.26 55.68 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.863 1.22 . . . . 0.0 113.974 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -122.4 -18.16 6.83 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.29 133.85 55.69 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.02 1.282 . . . . 0.0 110.299 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -135.81 59.88 1.7 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.306 1.043 . . . . 0.0 113.222 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -158.99 155.86 25.34 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 126.749 2.019 . . . . 0.0 110.435 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.58 156.48 65.4 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.272 1.982 . . . . 0.0 112.888 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.02 -32.58 34.8 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.834 1.654 . . . . 0.0 113.379 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -70.49 -30.33 67.08 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.264 1.425 . . . . 0.0 113.275 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.3 -31.71 16.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.058 0.943 . . . . 0.0 112.483 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.86 156.92 38.33 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.263 1.03 . . . . 0.0 113.361 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -77.33 -11.51 59.84 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.013 1.725 . . . . 0.0 113.886 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -139.22 -179.91 6.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.388 1.875 . . . . 0.0 111.763 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 147.19 23.92 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -120.09 71.89 17.16 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 127.376 2.27 . . . . 0.0 110.615 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.96 165.14 33.61 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.525 3.484 . . . . 0.0 114.613 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 m -98.27 162.78 13.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.495 1.518 . . . . 0.0 110.037 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -55.72 -24.11 32.86 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -83.28 -14.96 51.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.315 1.446 . . . . 0.0 114.178 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.79 165.36 25.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.103 0.865 . . . . 0.0 112.537 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.81 44.28 0.22 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.55 1.54 . . . . 0.0 112.923 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -67.21 125.36 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.247 . . . . 0.0 110.052 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -150.94 129.96 12.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.613 1.165 . . . . 0.0 111.241 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 39.95 34.57 0.19 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.2 10.09 57.53 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -139.31 168.1 20.59 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.635 1.718 . . . . 0.0 112.539 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.42 142.6 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.731 1.212 . . . . 0.0 107.988 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.3 mt -77.81 125.77 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.73 152.0 24.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.805 0.842 . . . . 0.0 112.636 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.3 t -70.42 112.9 7.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.287 1.435 . . . . 0.0 111.135 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.22 -38.84 66.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.112 1.765 . . . . 0.0 111.018 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.32 -32.38 62.82 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.714 -0.616 . . . . 0.0 112.601 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -68.94 -38.77 79.69 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.862 -1.149 . . . . 0.0 110.375 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -23.12 48.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.456 1.903 . . . . 0.0 111.947 173.908 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -104.99 2.83 30.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.701 2.001 . . . . 0.0 113.678 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.56 7.75 75.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 118.28 2.072 . . . . 0.0 118.28 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -154.81 90.0 1.27 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.957 1.879 . . . . 0.0 112.368 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.1 t -51.17 134.03 27.52 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.931 1.292 . . . . 0.0 110.801 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m -136.42 19.9 3.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.14 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 149.75 40.88 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.033 -1.042 . . . . 0.0 111.578 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.976 0.893 . . . . 0.0 110.503 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -153.45 109.57 3.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.881 2.873 . . . . 0.0 105.029 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.1 t -79.79 144.09 33.86 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.893 0.854 . . . . 0.0 112.451 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -134.1 -6.76 2.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.288 2.235 . . . . 0.0 114.083 -172.287 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -96.59 170.13 9.41 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.599 1.96 . . . . 0.0 112.583 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.53 135.1 34.36 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.766 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -99.23 104.85 28.89 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.86 158.58 15.93 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.665 2.243 . . . . 0.0 113.96 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.88 160.73 45.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.479 2.786 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -43.73 -41.14 11.44 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.531 3.487 . . . . 0.0 116.508 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -67.5 -49.71 62.21 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.186 0.903 . . . . 0.0 113.022 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -35.56 77.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.085 0.857 . . . . 0.0 111.344 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.55 -47.04 83.11 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.042 1.337 . . . . 0.0 110.392 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -63.61 -43.16 97.69 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.259 0.623 . . . . 0.0 111.06 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -62.53 -35.87 80.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.914 0.779 . . . . 0.0 111.659 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.41 -48.6 77.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.17 0.988 . . . . 0.0 110.211 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.16 -40.33 89.52 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.714 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.72 -48.91 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.503 0.721 . . . . 0.0 110.001 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -59.36 -43.57 92.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.22 -55.88 27.99 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.791 0.71 . . . . 0.0 112.05 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -65.24 -39.97 93.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.38 -43.06 74.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 110.897 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.43 -24.84 68.01 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.582 HD11 " H2'" ' B' ' 103' ' ' ' U' . 62.3 mt -82.05 -41.26 20.86 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.203 0.91 . . . . 0.0 111.463 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.97 -39.46 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.841 1.256 . . . . 0.0 111.41 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 130.69 133.29 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 1 C-N-CA 132.834 4.454 . . . . 0.0 106.269 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -50.0 -31.87 13.81 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.06 -20.36 64.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.416 1.486 . . . . 0.0 114.016 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 111.343 -178.654 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.288 1 O4'-C1'-N19 115.171 6.971 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 1 O4'-C1'-N19 115.081 6.881 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 110.287 2.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 110.652 2.452 . 0.674 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 O4'-C1'-C2' 101.544 -3.468 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 0 O3'-P-O5' 98.671 -2.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 P-O3'-C3' 121.945 1.871 . 0.265 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.567 -3.133 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.582 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.251 2 O4'-C1'-N19 115.376 7.176 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.914 -2.786 . 0.521 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.154 2.954 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.364 4.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 110.812 2.612 . 0.092 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 O4'-C1'-N19 110.74 2.54 . 0.392 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O3'-P-O5' 98.898 -2.685 . 0.503 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 CA--C 1.544 0.75 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.74 165.28 31.88 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.37 1.468 . . . . 0.0 111.749 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -140.88 163.64 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.918 1.687 . . . . 0.0 111.616 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.4 m -140.84 159.38 42.34 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.42 1.488 . . . . 0.0 111.756 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 p -151.98 157.45 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.487 1.515 . . . . 0.0 110.925 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -62.43 126.25 87.64 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 124.868 1.267 . . . . 0.0 111.006 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.02 165.54 29.6 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.413 2.742 . . . . 0.0 112.906 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -86.19 159.47 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.224 1.01 . . . . 0.0 111.335 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -140.97 177.66 7.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.796 1.638 . . . . 0.0 110.564 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.59 99.8 0.05 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 p -68.77 -15.17 63.43 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 119.914 -1.741 . . . . 0.0 113.476 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.52 -30.45 70.64 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.501 1.121 . . . . 0.0 113.372 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.95 -21.91 43.25 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.726 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.9 mt -91.09 -18.14 25.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.414 1.485 . . . . 0.0 113.343 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -79.81 149.2 31.12 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.606 1.548 . . . . 0.0 114.801 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -134.03 142.86 47.76 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.994 2.118 . . . . 0.0 109.441 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.83 141.74 40.54 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.513 1.125 . . . . 0.0 113.859 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.41 140.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.387 1.875 . . . . 0.0 109.971 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.86 133.42 56.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.064 0.945 . . . . 0.0 112.399 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -64.4 -43.71 93.58 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.95 0.9 . . . . 0.0 111.413 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.38 -31.66 70.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.695 0.798 . . . . 0.0 111.705 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.65 -42.9 95.12 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.874 -1.141 . . . . 0.0 110.882 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.3 -16.17 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.906 1.282 . . . . 0.0 113.267 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -109.2 0.09 19.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.516 1.926 . . . . 0.0 112.962 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 28.72 72.22 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.804 1.193 . . . . 0.0 114.563 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -117.93 -11.96 10.2 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.44 146.1 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.771 1.169 . . . . 0.0 111.089 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.12 59.74 1.56 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.243 1.017 . . . . 0.0 112.413 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -151.48 148.35 22.01 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.788 2.035 . . . . 0.0 110.309 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -72.22 157.34 53.98 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.219 1.946 . . . . 0.0 110.116 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.77 -32.73 32.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 112.318 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -65.54 -23.38 66.85 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.372 2.269 . . . . 0.0 114.828 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -117.47 -25.36 7.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.369 1.067 . . . . 0.0 113.349 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.58 153.78 42.95 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.773 0.797 . . . . 0.0 112.082 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -74.87 -7.54 53.8 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 114.566 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -139.19 -179.94 6.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.527 1.931 . . . . 0.0 111.531 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 144.83 25.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -120.2 70.92 16.2 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.991 2.117 . . . . 0.0 111.413 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.69 165.22 32.85 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.237 3.291 . . . . 0.0 114.537 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -98.95 161.39 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.448 1.499 . . . . 0.0 109.484 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -55.64 -26.06 42.35 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -79.16 -15.97 57.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.475 1.51 . . . . 0.0 114.328 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -76.78 163.28 26.95 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.326 0.966 . . . . 0.0 112.801 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -74.37 51.16 0.43 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.008 1.723 . . . . 0.0 112.746 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 t -74.53 128.52 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.971 1.308 . . . . 0.0 109.605 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -153.12 135.63 15.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.979 1.312 . . . . 0.0 111.201 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.2 t30 44.9 37.75 2.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.767 1.627 . . . . 0.0 114.999 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.32 14.0 82.09 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 115.261 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.26 166.83 20.32 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.727 2.011 . . . . 0.0 110.608 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.54 139.41 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.657 1.183 . . . . 0.0 108.097 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.8 mt -75.39 127.65 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 152.11 25.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.06 0.944 . . . . 0.0 112.496 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.35 109.26 4.63 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.925 1.29 . . . . 0.0 110.888 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.73 -42.45 93.16 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.834 0.854 . . . . 0.0 110.682 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.64 -42.63 97.35 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.701 -0.624 . . . . 0.0 111.539 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -66.24 -40.51 90.3 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.231 -0.918 . . . . 0.0 111.716 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.74 -32.99 72.25 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.221 1.008 . . . . 0.0 112.177 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.59 1.86 40.1 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.929 1.291 . . . . 0.0 112.642 174.459 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 8.6 66.66 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 126.539 2.019 . . . . 0.0 117.819 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -154.24 92.74 1.54 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.616 1.708 . . . . 0.0 112.081 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.17 136.47 42.46 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.265 1.026 . . . . 0.0 109.241 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m -137.38 34.28 2.51 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -173.538 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -123.36 139.23 54.24 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.896 1.278 . . . . 0.0 111.706 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.67 -31.39 52.5 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.68 1.192 . . . . 0.0 112.105 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.29 76.11 1.68 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.861 2.065 . . . . 0.0 108.064 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 t -79.74 112.01 16.6 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 122.346 1.07 . . . . 0.0 110.132 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -100.34 6.23 44.52 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.212 2.205 . . . . 0.0 114.509 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -104.58 168.92 8.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.304 1.442 . . . . 0.0 112.529 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -84.81 135.21 34.2 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.053 0.941 . . . . 0.0 111.143 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -103.53 104.61 42.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.55 159.14 7.91 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.1 2.533 . . . . 0.0 112.95 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.63 160.28 44.33 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.429 2.753 . . . . 0.0 111.967 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.43 -43.79 17.17 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.293 3.329 . . . . 0.0 115.849 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -61.74 -31.64 71.83 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.2 mt -86.01 -31.44 22.01 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.997 0.919 . . . . 0.0 111.389 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -57.41 -40.34 78.08 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.407 1.003 . . . . 0.0 110.713 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -59.93 -41.59 92.11 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.222 0.464 . . . . 0.0 111.809 175.664 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -66.41 -38.91 88.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.305 -0.872 . . . . 0.0 110.825 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.49 89.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 110.142 176.058 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.72 -39.36 93.8 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.668 -0.645 . . . . 0.0 111.89 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.69 -47.18 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.407 -0.808 . . . . 0.0 109.68 175.416 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.33 85.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.38 0.672 . . . . 0.0 112.188 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.02 -53.28 6.31 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.515 0.578 . . . . 0.0 112.913 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -61.44 -30.62 70.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.986 0.914 . . . . 0.0 113.026 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -55.14 -34.12 63.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.067 0.947 . . . . 0.0 112.539 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.57 -25.53 60.41 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.355 -0.841 . . . . 0.0 112.301 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.584 HD11 " H2'" ' B' ' 103' ' ' ' U' . 18.1 mt -85.18 -33.91 22.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.865 1.266 . . . . 0.0 112.105 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.23 -35.0 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.256 1.423 . . . . 0.0 111.712 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -63.74 154.91 31.76 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.569 1.148 . . . . 0.0 113.255 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -52.77 -27.57 18.51 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.808 1.643 . . . . 0.0 114.496 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.98 -23.88 67.64 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.113 1.365 . . . . 0.0 113.339 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 CA--C 1.541 0.616 0 C-N-CA 126.015 1.726 . . . . 0.0 110.282 179.732 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.497 0 O4'-C1'-N19 111.16 2.96 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 1 C3'-C2'-C1' 105.198 4.109 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 O4'-C1'-N19 115.488 7.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 O4'-C1'-N19 111.592 3.392 . 0.155 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 O4'-C1'-N19 111.137 2.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.111 1 O4'-C1'-N19 112.583 4.383 . 0.01 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.658 3.458 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 2 O4'-C1'-N19 112.806 4.606 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.584 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.463 2 O4'-C1'-N19 113.987 5.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.135 -3.565 . 0.209 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C4'-C3'-C2' 100.152 -2.548 . 0.154 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 112.687 4.487 . 0.194 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C3'-C2'-C1' 103.856 2.618 . 0.422 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 P-O3'-C3' 122.338 2.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 111.239 3.039 . 0.225 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.31 13.22 3.85 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.717 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.61 161.01 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.381 1.872 . . . . 0.0 111.045 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -125.33 -177.33 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.121 1.368 . . . . 0.0 112.038 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -62.48 135.09 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.165 1.386 . . . . 0.0 111.724 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.0 m -104.36 137.55 19.26 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 125.734 1.614 . . . . 0.0 109.371 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.36 -35.68 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.754 2.969 . . . . 0.0 115.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.06 160.13 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.969 2.107 . . . . 0.0 111.044 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HD3' ' C6 ' ' B' ' 102' ' ' ' U' . 15.3 ptp180 -58.3 107.66 0.52 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.303 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.44 99.91 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.416 2.287 . . . . 0.0 116.858 -172.837 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -61.02 -18.58 58.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.741 -1.849 . . . . 0.0 114.346 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -65.99 -26.58 67.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -77.32 -24.97 50.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.217 0.462 . . . . 0.0 111.167 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.81 -18.09 31.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.345 1.458 . . . . 0.0 113.074 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.8 149.9 30.9 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 121.106 1.776 . . . . 0.0 114.608 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.93 140.66 49.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.98 2.112 . . . . 0.0 108.823 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.33 147.75 41.95 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.54 140.01 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.967 1.707 . . . . 0.0 109.703 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.4 t -59.2 132.68 54.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.24 1.016 . . . . 0.0 112.499 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.18 -38.79 91.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.238 1.015 . . . . 0.0 112.104 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.84 -31.05 61.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.498 0.719 . . . . 0.0 111.913 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.73 -42.5 97.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.858 -1.151 . . . . 0.0 110.812 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -61.72 -16.15 46.77 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.841 1.656 . . . . 0.0 113.485 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -115.23 0.05 13.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.391 1.877 . . . . 0.0 113.431 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.64 69.98 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.916 1.246 . . . . 0.0 114.665 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -118.08 -7.68 10.79 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.0 t -71.02 150.04 46.0 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.332 0.969 . . . . 0.0 111.416 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -139.77 59.84 1.58 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.652 1.181 . . . . 0.0 112.653 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -154.91 149.09 19.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 126.742 2.017 . . . . 0.0 110.59 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.85 159.67 47.76 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.146 1.897 . . . . 0.0 109.459 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.09 -33.69 27.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.985 0.914 . . . . 0.0 112.272 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -62.76 -26.07 68.52 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.602 2.361 . . . . 0.0 114.759 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -120.07 -15.58 8.72 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -75.26 158.87 32.24 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 119.111 0.869 . . . . 0.0 111.702 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.78 -16.23 61.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 113.408 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -135.71 -179.93 5.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.349 1.859 . . . . 0.0 111.983 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.5 24.42 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -120.21 70.3 15.58 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.135 2.174 . . . . 0.0 111.121 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.7 165.18 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 124.14 3.227 . . . . 0.0 114.477 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -99.77 165.3 11.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.256 1.423 . . . . 0.0 110.34 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.66 -27.21 48.74 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.126 1.37 . . . . 0.0 114.62 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.7 m -85.78 -8.77 57.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.883 1.273 . . . . 0.0 114.339 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.97 163.6 25.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.423 1.01 . . . . 0.0 112.561 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 8.3 mm100 -72.64 45.22 0.14 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.947 2.099 . . . . 0.0 113.576 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.45 121.23 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.836 1.254 . . . . 0.0 109.964 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -152.39 134.7 15.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.574 1.15 . . . . 0.0 110.979 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.53 36.23 3.44 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.633 1.573 . . . . 0.0 114.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 13.76 82.88 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.064 -1.022 . . . . 0.0 115.136 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -130.64 167.44 18.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.769 2.027 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.21 135.98 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.241 1.416 . . . . 0.0 107.658 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.78 129.72 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 151.3 32.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.509 0.723 . . . . 0.0 112.275 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.8 t -75.99 106.21 7.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.101 1.36 . . . . 0.0 109.3 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.75 -37.28 70.83 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.007 -1.058 . . . . 0.0 111.507 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.2 -33.49 76.13 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.344 -0.848 . . . . 0.0 111.421 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -70.07 -39.33 75.68 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.934 -1.104 . . . . 0.0 110.676 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.37 -33.14 72.03 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.163 0.892 . . . . 0.0 111.079 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.43 -10.04 59.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.466 1.506 . . . . 0.0 112.512 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 10.27 64.6 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 116.051 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -154.95 91.74 1.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.0 1.4 . . . . 0.0 111.755 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.6 t -55.85 137.23 50.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.736 1.214 . . . . 0.0 110.787 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.7 p -149.04 19.81 0.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -83.91 125.49 32.06 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.833 -1.167 . . . . 0.0 109.466 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -26.89 25.15 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -176.402 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -146.24 80.4 1.56 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.338 2.255 . . . . 0.0 107.38 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.0 t -79.78 132.73 36.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.967 0.889 . . . . 0.0 111.759 -172.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -134.02 3.28 3.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.325 2.25 . . . . 0.0 114.782 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -94.18 169.97 9.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.343 1.457 . . . . 0.0 112.011 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 tp -84.73 135.06 34.3 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.071 -1.018 . . . . 0.0 111.429 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -99.5 104.81 29.61 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 173.686 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.33 146.1 13.79 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.206 1.937 . . . . 0.0 113.578 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.13 161.98 43.97 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.361 2.707 . . . . 0.0 109.808 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.15 -42.34 9.79 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 124.235 3.29 . . . . 0.0 116.877 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -66.36 -45.23 80.83 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.472 1.033 . . . . 0.0 112.971 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.14 -33.87 68.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.384 -0.823 . . . . 0.0 111.26 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.13 -39.76 91.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.737 1.215 . . . . 0.0 110.612 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -66.84 -42.65 85.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.788 0.835 . . . . 0.0 110.483 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.23 -36.69 82.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.393 -0.817 . . . . 0.0 111.156 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.02 77.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.43 1.092 . . . . 0.0 109.868 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.87 -42.79 85.3 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.264 0.626 . . . . 0.0 111.959 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.05 -47.64 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.36 -41.37 98.55 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.787 0.721 . . . . 0.0 111.568 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.09 -56.41 25.44 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.251 0.929 . . . . 0.0 110.875 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -61.43 -36.58 80.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.22 -44.73 92.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.303 0.956 . . . . 0.0 111.925 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -70.25 -39.76 74.83 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.319 0.647 . . . . 0.0 111.723 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.57 -25.0 67.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.639 1.976 . . . . 0.0 114.432 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.8 mt -64.23 -35.42 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.598 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 61.76 141.89 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 128.73 2.812 . . . . 0.0 116.053 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -70.0 -24.36 63.29 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.483 -1.385 . . . . 0.0 114.02 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -74.12 -19.71 60.49 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.493 1.517 . . . . 0.0 113.48 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 126.749 2.02 . . . . 0.0 113.26 -179.128 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.686 1 O4'-C1'-N19 113.522 5.322 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C3'-C2'-C1' 104.446 3.273 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . 0.43 " C2'" ' H1 ' ' B' ' 100' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.245 3.045 . 0.022 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 116.908 8.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.666 1 O4'-C1'-N19 115.754 7.554 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . 0.43 ' H1 ' " C2'" ' B' ' 97' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.559 3.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 O4'-C1'-N19 111.882 3.682 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.413 ' C6 ' ' HD3' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-O4' 114.522 3.802 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 3 O4'-C1'-N19 115.135 6.935 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.703 2 C5'-C4'-O4' 115.689 4.635 . 0.286 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 P-O3'-C3' 123.158 2.882 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.487 0 O4'-C4'-C3' 108.531 2.165 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 O4'-C1'-N19 111.4 3.2 . 0.243 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.322 0 O4'-C1'-N19 111.224 3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 C3'-C2'-C1' 103.375 2.083 . 0.096 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.63 2.44 3.77 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.566 1.547 . . . . 0.0 114.199 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -142.44 143.99 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.915 1.686 . . . . 0.0 109.405 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.6 p -158.77 169.83 23.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.578 1.551 . . . . 0.0 112.022 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.83 148.11 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.082 1.753 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -62.41 135.82 95.51 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 124.722 1.209 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.4 -45.64 22.14 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.051 3.168 . . . . 0.0 114.834 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.26 147.58 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.12 1.368 . . . . 0.0 111.059 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -148.99 172.45 14.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 128.22 2.608 . . . . 0.0 109.987 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -142.64 99.96 3.58 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.907 0.86 . . . . 0.0 113.171 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 p -64.23 -17.9 64.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -30.42 67.02 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.147 1.34 . . . . 0.0 113.907 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -80.41 -15.39 56.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.49 -15.16 15.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.942 1.697 . . . . 0.0 113.499 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.94 151.09 30.27 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.014 1.279 . . . . 0.0 113.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 150.74 52.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.871 2.068 . . . . 0.0 108.837 172.828 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -87.82 139.19 30.78 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.73 139.98 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.488 1.515 . . . . 0.0 109.759 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -56.57 130.42 45.05 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.934 0.894 . . . . 0.0 111.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 16.8 mmm180 -65.11 -33.35 75.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.941 0.896 . . . . 0.0 112.063 -175.543 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.09 -32.21 39.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 112.396 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.56 -39.35 93.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.25 -0.906 . . . . 0.0 111.488 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 43.1 mt-30 -60.26 -16.02 30.2 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.909 1.684 . . . . 0.0 113.542 175.192 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -116.9 0.08 12.37 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.648 1.979 . . . . 0.0 112.885 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.79 14.77 79.76 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.464 1.507 . . . . 0.0 114.493 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -86.95 -28.27 22.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.752 1.221 . . . . 0.0 113.164 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.31 141.01 57.31 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.927 0.891 . . . . 0.0 111.956 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 p -140.02 59.83 1.57 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.449 1.5 . . . . 0.0 111.991 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -151.59 142.73 15.45 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 126.606 1.962 . . . . 0.0 109.967 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.16 154.62 69.81 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.115 1.877 . . . . 0.0 112.069 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -51.19 -33.59 28.03 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.943 1.297 . . . . 0.0 112.732 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -64.27 -23.38 67.28 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.314 2.246 . . . . 0.0 114.694 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.94 -21.6 7.07 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.45 156.15 39.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.992 0.901 . . . . 0.0 112.052 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.31 -22.0 63.82 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.877 1.671 . . . . 0.0 113.228 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.22 -179.87 5.69 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.38 1.872 . . . . 0.0 112.529 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.74 145.39 25.23 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -174.581 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -120.18 73.37 19.94 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.031 2.132 . . . . 0.0 110.819 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.14 165.15 32.38 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.426 3.417 . . . . 0.0 114.554 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p -100.41 171.66 7.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.731 1.612 . . . . 0.0 111.543 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -21.03 58.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 m -91.66 -16.32 27.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.391 1.476 . . . . 0.0 113.606 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.9 152.95 44.63 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.637 -0.664 . . . . 0.0 112.058 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -78.08 52.51 1.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.762 1.225 . . . . 0.0 112.43 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.88 131.2 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.21 1.404 . . . . 0.0 110.71 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.87 135.88 14.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.832 1.253 . . . . 0.0 110.873 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.07 38.24 3.01 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 126.113 1.765 . . . . 0.0 114.466 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.18 12.5 84.29 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 120.989 -1.07 . . . . 0.0 115.296 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -126.22 162.18 26.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.029 2.132 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.59 139.88 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -74.39 130.03 36.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.58 149.1 21.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.002 0.921 . . . . 0.0 111.677 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.36 108.95 2.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.67 1.188 . . . . 0.0 112.268 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' HB3' ' C2 ' ' B' ' 101' ' ' ' C' . 25.9 t80 -57.7 -42.64 84.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.95 1.3 . . . . 0.0 111.211 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.14 -45.45 93.38 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.686 0.394 . . . . 0.0 111.301 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -39.88 89.98 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.096 -1.003 . . . . 0.0 112.312 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.25 -31.17 67.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.249 . . . . 0.0 112.482 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -92.14 9.24 34.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.07 1.348 . . . . 0.0 113.265 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 4.33 72.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 117.811 1.885 . . . . 0.0 117.811 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -152.02 93.03 1.78 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.535 1.667 . . . . 0.0 111.608 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.44 129.19 40.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 109.87 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -154.29 19.74 0.49 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.05 128.68 37.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.024 0.93 . . . . 0.0 110.215 178.112 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.72 -23.56 65.0 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.89 82.39 1.67 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.605 1.962 . . . . 0.0 107.783 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.5 t -79.76 112.57 17.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.136 0.97 . . . . 0.0 110.66 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -134.03 14.52 3.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.749 2.42 . . . . 0.0 113.066 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.88 170.24 8.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.058 2.143 . . . . 0.0 111.937 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -84.6 135.11 34.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.795 0.838 . . . . 0.0 110.79 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -104.57 104.65 46.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -89.48 161.22 5.44 Favored 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 123.174 2.583 . . . . 0.0 112.879 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.47 162.2 42.11 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.732 2.954 . . . . 0.0 112.024 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -44.2 -41.92 13.12 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.8 3.666 . . . . 0.0 116.837 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -64.36 -39.42 93.84 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.184 -0.947 . . . . 0.0 112.548 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 mt -77.3 -32.31 55.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.257 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.59 -43.18 93.78 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.902 1.228 . . . . 0.0 109.692 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.4 m -62.17 -44.5 96.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.494 0.718 . . . . 0.0 110.899 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.29 -37.82 84.55 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.505 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.52 -45.42 79.58 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.273 1.029 . . . . 0.0 110.337 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.69 -35.68 78.7 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.675 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.33 -47.06 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -56.91 -47.76 79.81 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.345 1.058 . . . . 0.0 110.706 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.06 -51.34 56.0 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.177 0.894 . . . . 0.0 113.917 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -59.33 -40.65 87.01 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.087 1.444 . . . . 0.0 111.647 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -63.37 -35.65 81.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.952 -0.468 . . . . 0.0 111.556 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.49 -33.16 69.02 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.3 -40.62 96.31 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.308 0.958 . . . . 0.0 109.874 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 92.8 mt -68.32 -24.46 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.316 1.446 . . . . 0.0 110.81 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 56.39 36.83 28.16 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.634 2.374 . . . . 0.0 113.523 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -53.34 -28.95 31.4 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.098 1.359 . . . . 0.0 114.076 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -61.81 -27.95 69.12 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.465 1.506 . . . . 0.0 113.698 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.545 1.138 . . . . 0.0 111.89 179.32 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.112 0 O4'-C4'-C3' 108.56 2.186 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 1 O4'-C1'-N19 113.148 4.948 . 0.093 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.282 1 O4'-C1'-N19 112.857 4.657 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.973 0 O4'-C1'-N19 111.881 3.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.395 1 O4'-C1'-N19 114.735 6.535 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C3'-C2'-C1' 104.489 3.321 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . 0.457 ' C2 ' ' HB3' ' A' ' 54' ' ' PHE . . . . . . . . 0 P--O5' 1.624 3.147 1 P-O3'-C3' 128.995 7.746 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 2 O4'-C1'-N19 113.165 4.965 . 0.013 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 3 O4'-C1'-N19 115.181 6.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 100.579 -2.121 . 0.442 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C4'-C3' 109.648 2.963 . 0.185 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C3'-C2'-C1' 104.181 2.979 . 0.052 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 111.647 3.447 . 0.01 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 110.642 2.442 . 0.414 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 1 O4'-C1'-N19 112.488 4.288 . 0.05 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.57 -18.43 65.36 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.91 1.284 . . . . 0.0 114.339 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.5 m -141.31 163.06 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.511 1.924 . . . . 0.0 111.166 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -152.02 168.4 25.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.278 1.431 . . . . 0.0 112.151 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.16 162.57 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.878 1.671 . . . . 0.0 111.494 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -62.47 135.49 95.44 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 124.523 1.129 . . . . 0.0 111.385 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.79 165.43 3.66 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.708 2.938 . . . . 0.0 114.163 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.87 158.08 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 122.695 1.236 . . . . 0.0 111.629 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -113.46 135.95 53.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.946 1.698 . . . . 0.0 111.459 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -153.43 125.2 7.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.259 1.423 . . . . 0.0 111.234 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 p -68.38 -21.84 64.68 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.111 -1.618 . . . . 0.0 113.352 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.4 -32.78 67.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.877 1.271 . . . . 0.0 114.285 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -82.39 -21.48 35.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.87 -14.33 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.774 1.629 . . . . 0.0 112.644 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.81 147.8 31.66 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.864 1.666 . . . . 0.0 114.722 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.25 140.28 43.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.184 2.194 . . . . 0.0 109.035 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 146.54 47.78 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.6 140.01 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.031 1.732 . . . . 0.0 110.23 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -62.19 126.58 27.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.423 1.089 . . . . 0.0 111.865 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -61.87 -39.89 93.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.473 -0.767 . . . . 0.0 111.844 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.39 -26.57 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.42 0.688 . . . . 0.0 111.788 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -70.68 -42.71 70.35 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.859 -1.151 . . . . 0.0 110.159 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.68 -38.32 90.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.753 0.821 . . . . 0.0 111.068 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -70.02 -20.46 63.26 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.92 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.0 31.58 38.75 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.111 1.339 . . . . 0.0 113.571 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.5 p -124.26 -18.24 5.89 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.96 140.51 58.32 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.861 1.21 . . . . 0.0 111.218 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -137.55 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.772 1.229 . . . . 0.0 111.989 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -149.85 150.36 30.12 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 126.873 2.069 . . . . 0.0 110.226 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.31 155.9 50.99 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.133 1.889 . . . . 0.0 110.552 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.67 -32.92 44.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.987 0.915 . . . . 0.0 111.91 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.339 2.256 . . . . 0.0 114.811 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.04 -20.23 7.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -71.87 153.2 42.04 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 118.856 0.753 . . . . 0.0 111.627 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -72.2 -10.44 59.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.235 1.414 . . . . 0.0 114.763 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -138.45 -179.88 6.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.489 1.916 . . . . 0.0 111.412 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.9 24.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -120.07 78.29 24.82 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 127.124 2.17 . . . . 0.0 109.853 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.7 165.12 24.2 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.992 3.128 . . . . 0.0 115.095 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -105.43 175.65 5.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.358 1.863 . . . . 0.0 111.349 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.84 -20.52 65.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -91.56 -17.99 24.77 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.215 1.406 . . . . 0.0 113.252 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -65.8 137.77 57.46 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.017 0.826 . . . . 0.0 111.399 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -81.48 55.57 2.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.147 0.979 . . . . 0.0 111.573 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -63.22 134.06 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.085 1.754 . . . . 0.0 111.372 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 146.32 22.96 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.609 1.164 . . . . 0.0 111.993 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 46.88 32.35 1.79 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.912 1.685 . . . . 0.0 114.619 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 14.53 82.05 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 120.76 -1.213 . . . . 0.0 114.988 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -129.84 164.51 23.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.692 1.997 . . . . 0.0 111.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.26 139.18 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.64 126.23 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.59 149.06 33.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.103 0.961 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.9 t -70.37 111.98 6.34 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.631 1.572 . . . . 0.0 111.176 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -58.59 -39.52 80.59 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.948 1.299 . . . . 0.0 111.314 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.57 -29.91 65.26 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.305 -0.872 . . . . 0.0 112.249 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.8 t -68.6 -41.84 79.03 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.299 -0.876 . . . . 0.0 109.78 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.46 -33.04 74.04 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.457 1.103 . . . . 0.0 111.339 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.72 -10.04 59.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.297 1.439 . . . . 0.0 112.133 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.75 6.57 69.86 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.636 2.065 . . . . 0.0 116.347 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -154.88 92.14 1.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.176 1.488 . . . . 0.0 111.456 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 t -54.31 133.2 44.99 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.672 1.189 . . . . 0.0 110.873 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p -135.94 28.51 3.19 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -173.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -118.21 113.62 21.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.699 1.6 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.53 -18.42 63.81 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -134.11 67.92 1.5 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.322 2.249 . . . . 0.0 108.213 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.7 t -79.67 129.25 34.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.362 1.077 . . . . 0.0 109.877 -173.975 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -132.13 19.57 4.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.809 2.444 . . . . 0.0 113.614 -172.019 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.6 168.17 10.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.694 1.997 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.72 135.14 34.26 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 111.135 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -96.83 104.72 19.48 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.42 143.24 13.64 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 113.235 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -73.38 161.96 41.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.478 2.785 . . . . 0.0 110.762 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.41 -43.28 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.425 3.416 . . . . 0.0 116.388 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -64.05 -32.62 74.24 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.225 0.921 . . . . 0.0 113.446 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.67 -27.56 27.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.473 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -57.65 -39.56 77.29 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.922 1.237 . . . . 0.0 110.516 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.2 m -60.55 -44.72 95.81 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.041 0.536 . . . . 0.0 111.39 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.9 -37.33 86.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.583 -0.698 . . . . 0.0 111.085 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -44.35 93.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.618 1.167 . . . . 0.0 110.685 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.67 -41.27 98.98 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.05 -1.031 . . . . 0.0 111.669 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.957 0.903 . . . . 0.0 109.792 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.55 -41.15 89.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.717 0.807 . . . . 0.0 110.452 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -52.72 -60.13 8.33 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.729 1.633 . . . . 0.0 112.239 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -65.34 -38.84 91.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.074 0.937 . . . . 0.0 112.519 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -61.0 -42.55 98.65 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.116 1.326 . . . . 0.0 112.561 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.58 -36.68 76.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.533 0.733 . . . . 0.0 111.423 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.8 tp -64.78 -39.83 94.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.049 1.74 . . . . 0.0 111.313 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.2 -20.12 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.256 1.822 . . . . 0.0 110.482 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 64.83 30.45 12.17 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.382 2.273 . . . . 0.0 112.723 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.77 -30.04 67.24 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.49 -20.14 66.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.328 1.451 . . . . 0.0 114.203 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 125.117 1.367 . . . . 0.0 112.596 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.157 0 C2'-C3'-O3' 115.874 1.741 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-O3' 117.063 2.486 . 0.115 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.416 3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 1 O4'-C1'-N19 112.216 4.016 . 0.01 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.861 -2.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 O4'-C1'-N19 111.486 3.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.225 3.025 . 0.263 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 1 O4'-C1'-N19 113.236 5.036 . 0.425 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O4'-C1'-N19 112.179 3.979 . 0.327 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 100.62 -2.08 . 0.318 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.259 1 O4'-C1'-N19 113.091 4.891 . 0.241 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 2 O4'-C1'-N19 113.18 4.98 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.564 1 O4'-C1'-N19 112.576 4.376 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 P-O3'-C3' 123.066 2.805 . 0.01 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 -17.04 64.66 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.54 154.22 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.561 1.544 . . . . 0.0 111.205 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.1 t -159.96 179.43 8.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.312 1.845 . . . . 0.0 110.993 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 p -146.94 149.36 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.251 1.42 . . . . 0.0 111.975 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 m -63.52 134.49 95.88 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.613 1.565 . . . . 0.0 110.863 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -68.4 161.22 45.77 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.776 2.317 . . . . 0.0 112.865 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.97 160.03 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 126.117 1.767 . . . . 0.0 111.286 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -125.73 152.12 45.74 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.684 1.594 . . . . 0.0 111.894 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -154.25 106.77 2.81 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -56.87 -21.14 27.11 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.836 -1.79 . . . . 0.0 114.81 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.03 -29.13 67.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 113.464 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -87.21 -28.75 22.19 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.192 0.451 . . . . 0.0 111.922 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.38 -18.14 57.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.611 1.164 . . . . 0.0 112.698 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.72 150.32 30.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.76 136.16 47.36 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.108 2.163 . . . . 0.0 108.814 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.53 149.5 40.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.52 138.23 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.071 1.748 . . . . 0.0 109.98 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.4 t -59.76 123.58 17.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.066 0.946 . . . . 0.0 111.003 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -64.31 -38.81 92.37 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.427 -0.796 . . . . 0.0 111.995 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.79 -27.23 64.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.399 0.679 . . . . 0.0 112.242 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -68.82 -44.9 72.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.394 0.997 . . . . 0.0 109.986 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -64.75 -34.87 79.35 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 111.706 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -75.07 -14.13 60.56 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 0.0 113.268 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 35.22 28.19 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.869 1.224 . . . . 0.0 113.583 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -124.56 -29.39 3.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.452 1.501 . . . . 0.0 113.964 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 139.75 58.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.474 1.034 . . . . 0.0 111.684 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.7 m -138.21 59.85 1.63 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.305 1.442 . . . . 0.0 111.566 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -145.88 147.65 33.13 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.821 2.048 . . . . 0.0 110.088 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -73.0 154.63 52.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 121.921 1.747 . . . . 0.0 109.993 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.09 -34.85 45.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.921 0.888 . . . . 0.0 111.997 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -60.25 -24.98 65.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.666 2.387 . . . . 0.0 114.598 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.11 -18.54 8.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.15 145.46 35.65 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.244 0.929 . . . . 0.0 111.144 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.01 -14.57 49.57 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.5 -179.96 5.91 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.26 1.824 . . . . 0.0 111.894 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.36 24.48 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -120.14 66.41 11.47 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.251 2.221 . . . . 0.0 110.752 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.09 165.08 33.71 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.908 3.072 . . . . 0.0 114.041 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -103.39 165.11 11.23 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.659 1.584 . . . . 0.0 109.85 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.67 -24.21 32.7 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -73.63 -20.07 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.386 1.475 . . . . 0.0 113.955 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.77 161.97 24.29 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.015 0.825 . . . . 0.0 112.597 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -73.42 46.52 0.2 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.377 1.871 . . . . 0.0 112.848 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.54 128.17 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.909 1.283 . . . . 0.0 110.384 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.93 139.8 17.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.823 1.249 . . . . 0.0 110.737 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 41.3 35.91 0.46 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.46 14.17 71.63 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -143.37 166.32 25.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.796 1.638 . . . . 0.0 112.432 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.99 139.75 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.733 1.213 . . . . 0.0 108.027 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.67 126.74 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.82 148.81 28.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.487 0.715 . . . . 0.0 111.641 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.6 t -69.39 112.98 6.3 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.708 1.203 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.8 -39.96 86.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.401 1.08 . . . . 0.0 111.461 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -67.9 -35.91 79.3 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.584 -0.698 . . . . 0.0 111.552 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -67.91 -40.28 83.42 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.24 -0.912 . . . . 0.0 111.073 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.37 -32.43 71.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.225 1.01 . . . . 0.0 111.685 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -80.65 -4.45 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.3 1.44 . . . . 0.0 112.852 174.405 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.74 67.88 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 126.424 1.964 . . . . 0.0 116.695 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -153.23 91.91 1.56 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.3 1.55 . . . . 0.0 111.32 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.36 132.05 51.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.263 1.025 . . . . 0.0 110.454 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.3 m -137.87 19.92 2.85 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -175.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -87.1 133.44 33.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.978 -1.076 . . . . 0.0 111.528 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -62.76 -29.27 70.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.083 0.953 . . . . 0.0 113.544 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -147.27 85.96 1.61 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.388 1.875 . . . . 0.0 107.911 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.9 t -79.81 132.63 36.18 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.737 0.815 . . . . 0.0 111.245 -174.637 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -133.98 5.13 3.58 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.956 2.102 . . . . 0.0 114.11 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -96.38 169.64 9.78 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.808 1.643 . . . . 0.0 111.515 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.71 135.04 34.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.96 -1.087 . . . . 0.0 111.509 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -99.05 104.82 28.14 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.48 142.22 10.39 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.544 2.163 . . . . 0.0 114.707 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.04 162.58 41.66 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 124.414 3.41 . . . . 0.0 110.61 173.66 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.05 -45.43 9.34 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.6 3.533 . . . . 0.0 117.335 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -66.41 -38.46 87.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.756 1.162 . . . . 0.0 112.565 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.27 -27.98 63.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.558 -0.714 . . . . 0.0 111.313 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.93 -39.4 91.93 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.938 1.245 . . . . 0.0 110.176 172.342 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.2 m -64.91 -43.8 91.64 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.717 -0.615 . . . . 0.0 110.691 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -60.51 -39.37 87.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.608 -0.682 . . . . 0.0 110.898 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.59 -47.83 79.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.428 1.091 . . . . 0.0 110.302 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.01 -39.72 86.78 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.131 0.878 . . . . 0.0 112.926 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.86 -46.44 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.784 0.834 . . . . 0.0 109.667 176.444 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -61.69 -42.31 98.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.352 0.661 . . . . 0.0 110.846 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.02 -60.02 9.75 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 125.9 1.714 . . . . 0.0 112.667 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -61.6 -34.93 76.48 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.803 1.301 . . . . 0.0 113.603 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.1 -43.27 71.41 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.801 0.728 . . . . 0.0 111.394 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -68.22 -34.06 75.55 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.728 0.694 . . . . 0.0 111.425 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.3 tp -56.33 -32.16 64.41 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.251 1.42 . . . . 0.0 113.679 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.13 -18.97 23.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.628 1.571 . . . . 0.0 111.629 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -142.54 45.54 1.61 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.684 2.394 . . . . 0.0 109.334 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -22.41 1.44 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.682 1.993 . . . . 0.0 116.295 -173.354 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -59.4 -30.0 68.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.643 1.177 . . . . 0.0 112.754 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 126.491 1.916 . . . . 0.0 110.549 177.856 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.246 1 O4'-C1'-N19 112.302 4.102 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C3'-C2'-C1' 104.087 2.875 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.325 0 P-O3'-C3' 124.21 3.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.803 3.603 . 0.473 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 O4'-C1'-N19 113.108 4.908 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 O4'-C1'-N19 114.544 6.344 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 P-O3'-C3' 123.491 3.159 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 O4'-C1'-N19 111.135 2.935 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 1 O4'-C1'-N19 115.804 7.604 . 0.226 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.9 1 O5'-C5'-C4' 116.542 4.53 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 O4'-C1'-N19 111.774 3.574 . 0.462 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 111.209 3.009 . 0.375 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 98.838 -3.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.228 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptp . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 166.11 30.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.766 1.626 . . . . 0.0 112.169 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.47 158.03 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.659 1.584 . . . . 0.0 110.995 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -151.34 161.13 43.25 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.586 1.554 . . . . 0.0 112.022 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 p -158.03 161.63 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.785 1.634 . . . . 0.0 110.717 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -62.44 143.18 96.12 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.095 0.958 . . . . 0.0 111.183 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.16 161.44 5.16 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.884 3.056 . . . . 0.0 116.032 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.85 160.11 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.041 1.337 . . . . 0.0 111.29 176.444 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -140.11 177.26 8.11 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -142.77 99.86 3.56 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.799 1.239 . . . . 0.0 112.854 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -59.57 -16.41 25.15 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -51.32 -32.02 23.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.6 1.56 . . . . 0.0 113.537 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -87.84 -26.18 22.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.45 -13.96 44.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.605 1.162 . . . . 0.0 112.586 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.82 152.71 29.58 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -139.06 146.28 40.59 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.181 2.592 . . . . 0.0 109.28 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.62 140.76 33.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.0 t -87.61 140.03 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.205 1.802 . . . . 0.0 110.287 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -58.5 134.68 56.91 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.069 0.948 . . . . 0.0 112.351 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -64.8 -45.69 85.18 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.336 -0.852 . . . . 0.0 111.021 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -68.01 -26.08 65.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.485 0.714 . . . . 0.0 112.202 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.92 -44.42 69.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.138 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.13 -34.98 79.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.169 0.988 . . . . 0.0 111.317 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.51 -19.49 63.72 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.832 1.653 . . . . 0.0 112.796 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.99 28.8 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 112.359 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -122.76 -34.96 3.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.847 1.659 . . . . 0.0 113.642 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -64.25 135.0 55.84 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.217 0.917 . . . . 0.0 111.156 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 m -139.84 59.72 1.58 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.72 1.208 . . . . 0.0 112.251 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -148.63 153.83 40.16 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.959 2.103 . . . . 0.0 110.036 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.84 152.1 63.43 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.779 1.653 . . . . 0.0 110.43 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.53 -25.16 36.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -66.37 -30.08 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.268 1.427 . . . . 0.0 112.246 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.29 -31.92 11.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.959 1.304 . . . . 0.0 112.703 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.27 170.04 14.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.775 0.83 . . . . 0.0 111.58 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.61 -11.96 49.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.259 1.424 . . . . 0.0 113.838 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.13 -179.81 6.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 112.344 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.72 145.14 25.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.639 0.776 . . . . 0.0 112.986 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.13 74.07 20.65 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.706 2.002 . . . . 0.0 111.434 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.44 165.09 33.7 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.13 3.22 . . . . 0.0 114.104 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -94.48 160.53 14.61 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.996 1.318 . . . . 0.0 109.53 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -57.69 -22.77 48.03 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.379 1.071 . . . . 0.0 113.711 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -78.94 -23.84 44.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.007 2.123 . . . . 0.0 114.376 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.03 160.21 32.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.965 0.906 . . . . 0.0 112.958 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -75.52 54.72 0.77 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.168 1.387 . . . . 0.0 112.59 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.26 130.79 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.92 1.288 . . . . 0.0 109.488 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.05 134.75 17.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.545 1.138 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 40.78 32.01 0.14 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.023 2.529 . . . . 0.0 117.378 179.202 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 13.97 58.29 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.576 1.084 . . . . 0.0 114.529 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -130.16 162.51 28.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.918 2.087 . . . . 0.0 110.805 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.72 138.82 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.547 1.139 . . . . 0.0 108.083 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.04 126.97 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 151.99 29.72 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.783 0.833 . . . . 0.0 112.728 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.8 106.05 4.6 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.617 1.567 . . . . 0.0 109.881 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.41 -37.23 67.35 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.608 1.163 . . . . 0.0 111.538 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.47 -31.15 70.24 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.575 -0.703 . . . . 0.0 111.984 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.7 t -69.36 -37.69 77.74 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.176 -0.952 . . . . 0.0 110.539 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.22 -33.08 72.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.285 -0.885 . . . . 0.0 111.112 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.45 -3.04 48.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.779 1.232 . . . . 0.0 113.235 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.76 82.66 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.709 1.623 . . . . 0.0 116.222 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -153.43 89.11 1.32 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.185 1.492 . . . . 0.0 111.838 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.4 t -51.4 126.16 16.33 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.174 1.39 . . . . 0.0 110.771 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m -142.13 19.77 2.1 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.2 145.27 37.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.018 -1.052 . . . . 0.0 111.521 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.98 -39.02 88.06 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.259 1.024 . . . . 0.0 112.715 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -144.79 92.18 2.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.144 2.178 . . . . 0.0 107.003 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.1 t -80.05 114.65 19.12 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.151 0.981 . . . . 0.0 111.749 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -134.2 35.53 3.25 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.024 2.13 . . . . 0.0 112.119 177.952 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -117.36 168.22 10.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.198 2.199 . . . . 0.0 110.69 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.76 135.07 34.28 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.885 -1.135 . . . . 0.0 112.315 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -96.23 104.96 19.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.176 1.39 . . . . 0.0 107.465 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.39 135.07 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.06 1.84 . . . . 0.0 115.211 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.36 163.37 39.01 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.652 2.902 . . . . 0.0 109.672 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -42.96 -43.48 9.35 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.403 3.402 . . . . 0.0 117.556 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -67.9 -44.84 76.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.503 1.047 . . . . 0.0 112.843 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 mt -71.74 -32.79 68.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.362 -0.836 . . . . 0.0 111.319 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.9 -38.55 86.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.955 1.302 . . . . 0.0 110.436 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 m -67.87 -43.84 78.49 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.123 0.569 . . . . 0.0 110.27 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -35.5 77.34 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.2 -0.937 . . . . 0.0 111.144 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.91 -50.47 66.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.132 1.373 . . . . 0.0 110.25 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.31 -32.39 73.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.88 1.218 . . . . 0.0 112.897 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.29 -47.95 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.352 0.661 . . . . 0.0 109.553 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.25 -43.81 92.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.003 0.921 . . . . 0.0 110.508 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.89 11.45 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 125.773 1.654 . . . . 0.0 112.137 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -50.31 70.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.444 1.122 . . . . 0.0 112.073 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -56.82 -46.4 81.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.176 0.59 . . . . 0.0 112.305 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.42 -33.81 74.87 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.267 -0.895 . . . . 0.0 112.26 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.25 -32.35 73.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.767 1.227 . . . . 0.0 111.167 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.53 -39.62 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.21 1.004 . . . . 0.0 110.363 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -157.88 118.67 3.47 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.317 1.847 . . . . 0.0 110.134 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -58.03 -25.44 61.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.86 -21.34 61.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.923 1.289 . . . . 0.0 112.622 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 CA--C 1.536 0.44 0 C-N-CA 126.022 1.729 . . . . 0.0 110.597 -179.47 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.881 0 O4'-C1'-N19 111.412 3.212 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 2 O4'-C1'-N19 116.931 8.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.371 0 N19-C1'-C2' 117.428 2.517 OUTLIER-DELTA 0.052 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O5'-C5'-C4' 114.678 3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.633 1 O4'-C1'-N19 114.147 5.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.793 0 O4'-C1'-N19 110.676 2.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.774 3.574 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 1 C3'-C2'-C1' 106.077 5.086 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 2 O4'-C1'-N19 115.78 7.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.507 0 O5'-C5'-C4' 115.212 3.58 OUTLIER-DELTA 0.113 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 O4'-C1'-N19 111.942 3.742 . 0.011 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 111.331 3.131 . 0.345 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.052 0 O4'-C1'-N19 111.225 3.025 . 0.522 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.74 13.69 2.71 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.915 1.686 . . . . 0.0 113.496 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.03 163.65 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.212 1.805 . . . . 0.0 111.677 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.7 m -153.88 161.97 41.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.081 1.752 . . . . 0.0 111.159 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -150.75 157.16 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.317 1.447 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 m -62.39 132.79 94.3 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.963 1.305 . . . . 0.0 111.237 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.81 157.5 10.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.714 2.943 . . . . 0.0 115.167 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 pt -79.96 160.08 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.68 1.192 . . . . 0.0 112.636 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HD3' ' C6 ' ' B' ' 102' ' ' ' U' . 17.5 ptp180 -54.69 124.06 15.2 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.418 1.487 . . . . 0.0 112.332 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.31 100.0 6.55 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -174.752 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 p -63.05 -14.17 44.86 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.883 -1.761 . . . . 0.0 114.653 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.85 -29.91 69.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.12 0.968 . . . . 0.0 113.037 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -78.62 -16.6 57.18 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.76 -0.587 . . . . 0.0 112.21 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.48 -16.58 19.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 0.0 113.376 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.84 146.31 32.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.605 1.548 . . . . 0.0 114.069 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -133.49 138.06 45.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.541 1.936 . . . . 0.0 109.339 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -76.56 142.52 40.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.605 1.162 . . . . 0.0 113.806 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.29 140.0 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.079 2.151 . . . . 0.0 110.506 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.45 136.46 56.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.218 1.007 . . . . 0.0 112.298 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -63.71 -51.91 62.91 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.063 0.945 . . . . 0.0 110.864 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -28.84 70.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.858 0.863 . . . . 0.0 112.454 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -66.22 -41.38 90.19 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.969 -1.082 . . . . 0.0 110.539 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.05 -32.4 72.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.06 0.944 . . . . 0.0 111.703 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -78.79 -11.84 60.0 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.969 0.908 . . . . 0.0 112.974 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.25 29.78 52.39 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.972 1.272 . . . . 0.0 114.01 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.1 p -121.86 -18.71 6.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.19 135.77 56.6 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.942 1.247 . . . . 0.0 110.204 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -136.74 59.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.304 1.041 . . . . 0.0 113.292 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -159.86 154.89 21.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 126.286 1.835 . . . . 0.0 111.145 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.04 155.18 69.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.192 1.928 . . . . 0.0 110.876 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -54.05 -31.86 52.79 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -64.56 -26.17 68.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.973 1.309 . . . . 0.0 112.897 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.72 -20.38 15.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.4 1.48 . . . . 0.0 112.248 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.73 170.07 15.49 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.993 1.317 . . . . 0.0 112.391 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -92.43 -8.03 45.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.183 1.793 . . . . 0.0 114.472 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -142.39 -179.92 6.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.818 2.047 . . . . 0.0 111.632 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.64 148.44 23.32 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -120.2 78.26 25.81 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 126.557 1.943 . . . . 0.0 111.014 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.58 165.17 30.22 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.362 3.375 . . . . 0.0 114.754 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -105.38 169.26 8.56 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.161 1.784 . . . . 0.0 110.946 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -55.7 -31.09 62.15 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.563 1.145 . . . . 0.0 113.855 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -76.22 -19.42 58.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.349 1.459 . . . . 0.0 114.141 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.52 142.13 50.13 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.316 -0.865 . . . . 0.0 111.191 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -81.57 58.25 3.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.837 0.827 . . . . 0.0 111.787 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.64 133.75 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.693 1.997 . . . . 0.0 111.102 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.11 144.87 22.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.118 0.967 . . . . 0.0 112.667 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 43.38 31.97 0.45 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.545 1.938 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.82 9.96 73.45 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 120.827 -1.171 . . . . 0.0 115.926 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 167.72 21.27 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.94 1.87 . . . . 0.0 112.331 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.64 141.21 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.189 0.996 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -73.94 126.57 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.17 152.03 26.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.876 0.87 . . . . 0.0 112.594 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.8 t -71.78 106.76 4.27 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 110.584 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.05 -39.91 75.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 111.559 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -64.74 -42.43 95.19 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 0.0 111.651 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -68.75 -37.8 79.67 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.135 -0.978 . . . . 0.0 112.048 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.18 -26.01 64.44 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.739 1.216 . . . . 0.0 112.642 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -98.33 7.17 46.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.847 1.659 . . . . 0.0 112.963 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.05 6.3 69.48 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 117.918 1.927 . . . . 0.0 117.918 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -152.51 88.12 1.34 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.189 1.995 . . . . 0.0 112.884 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -53.43 128.1 27.41 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.041 1.336 . . . . 0.0 110.303 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.5 m -144.47 19.91 1.7 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.36 143.08 50.33 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.62 -1.3 . . . . 0.0 112.708 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.82 -32.76 74.37 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 0.0 111.546 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -146.48 94.36 2.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.152 2.181 . . . . 0.0 107.16 175.489 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 t -79.84 113.52 18.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 122.413 1.102 . . . . 0.0 110.218 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -127.59 12.51 6.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.995 2.518 . . . . 0.0 112.76 -175.678 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -104.12 169.62 8.38 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.083 1.753 . . . . 0.0 111.941 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.78 135.14 34.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.894 0.877 . . . . 0.0 111.112 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -102.01 104.71 37.83 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -85.71 160.57 10.65 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.092 2.528 . . . . 0.0 113.472 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.34 158.59 44.53 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.713 2.942 . . . . 0.0 111.824 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -45.19 -43.46 16.37 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.679 3.586 . . . . 0.0 116.579 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -62.74 -40.55 97.58 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.243 -0.911 . . . . 0.0 112.053 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -79.54 -28.3 41.26 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.889 0.876 . . . . 0.0 111.46 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.342 0.974 . . . . 0.0 109.664 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 m -64.2 -44.77 90.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.411 0.685 . . . . 0.0 110.416 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -60.95 -37.82 83.69 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.737 -0.602 . . . . 0.0 111.191 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.33 -46.82 78.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.263 1.025 . . . . 0.0 110.529 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.49 -44.55 80.77 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.241 0.616 . . . . 0.0 110.181 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.7 mt -63.04 -45.46 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.294 1.038 . . . . 0.0 110.916 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -53.75 -45.22 70.5 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.553 1.141 . . . . 0.0 112.222 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.96 -44.93 6.51 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.546 -0.586 . . . . 0.0 114.239 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -61.08 -34.2 74.55 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.144 1.472 . . . . 0.0 112.815 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.81 -28.11 67.17 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.775 0.716 . . . . 0.0 112.4 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.52 -38.08 30.41 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.54 -0.725 . . . . 0.0 110.847 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.593 HD11 " H2'" ' B' ' 103' ' ' ' U' . 53.0 mt -61.31 -36.97 81.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.672 0.789 . . . . 0.0 111.489 176.303 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.55 -18.96 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 125.731 1.612 . . . . 0.0 111.912 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -122.36 29.66 6.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.417 1.487 . . . . 0.0 114.65 -175.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -58.04 -24.6 59.04 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.4 -29.94 71.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.113 1.365 . . . . 0.0 113.06 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.113 1.365 . . . . 0.0 111.332 179.612 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.948 1 O4'-C1'-N19 114.335 6.135 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.925 3.725 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 100.028 -2.672 . 0.611 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 100.868 -1.832 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-C2' 101.083 -3.798 . 0.203 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 O4'-C1'-N19 112.746 4.546 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 O3'-P-O5' 97.327 -3.512 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . 0.417 ' C6 ' ' HD3' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.479 1 C3'-C2'-C1' 106.055 5.061 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.593 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.618 2.536 3 O4'-C1'-N19 114.959 6.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.053 -3.647 . 0.425 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.467 0 O4'-C1'-C2' 102.205 -2.996 . 0.065 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 1 O4'-C1'-N19 112.986 4.786 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 1 O4'-C1'-N19 112.796 4.596 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 111.137 2.937 . 0.022 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 110.807 2.607 . 0.37 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 CA--C 1.545 0.768 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.93 5.74 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.508 1.523 . . . . 0.0 114.284 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 t -140.89 146.19 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.631 1.572 . . . . 0.0 109.843 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.8 p -155.45 167.85 29.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.591 1.557 . . . . 0.0 112.025 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.55 156.52 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.312 1.045 . . . . 0.0 112.826 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 m -62.47 129.57 92.67 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 124.398 1.079 . . . . 0.0 111.709 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.21 -32.43 70.6 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.936 3.091 . . . . 0.0 115.727 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 pt -120.1 160.04 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.382 1.873 . . . . 0.0 112.856 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -69.17 171.25 8.64 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.71 1.604 . . . . 0.0 112.189 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -138.39 99.88 3.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.359 1.063 . . . . 0.0 112.826 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.6 p -68.1 -12.99 61.86 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.562 -1.336 . . . . 0.0 114.569 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -56.13 -27.4 53.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.791 1.236 . . . . 0.0 113.439 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -86.61 -17.9 32.76 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.12 -15.75 24.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.52 1.528 . . . . 0.0 112.754 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.77 152.21 29.93 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.399 1.454 . . . . 0.0 114.179 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -133.08 145.35 50.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.869 2.067 . . . . 0.0 108.363 173.456 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.25 141.37 35.62 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.92 139.68 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.947 1.299 . . . . 0.0 109.272 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.72 132.81 54.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.051 0.941 . . . . 0.0 111.956 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -65.29 -41.85 93.71 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.899 0.88 . . . . 0.0 111.503 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.74 -26.86 61.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.364 0.666 . . . . 0.0 111.703 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.41 -42.74 82.77 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.729 -1.232 . . . . 0.0 110.362 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.3 -35.64 81.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.205 1.002 . . . . 0.0 111.54 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -75.0 -16.37 60.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.94 1.296 . . . . 0.0 113.089 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.98 44.8 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.013 1.292 . . . . 0.0 113.458 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.1 p -124.81 -13.71 6.87 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.89 145.5 56.21 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.965 1.257 . . . . 0.0 111.166 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 p -140.08 59.69 1.57 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.459 1.104 . . . . 0.0 113.072 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -149.6 148.75 26.74 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.825 2.05 . . . . 0.0 110.116 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.74 157.77 51.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.986 1.791 . . . . 0.0 110.149 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.32 -32.45 25.24 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.029 0.932 . . . . 0.0 112.237 176.368 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -64.35 -24.76 67.75 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.622 2.369 . . . . 0.0 115.006 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -120.0 -20.31 7.52 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.3 155.16 41.0 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.792 0.806 . . . . 0.0 111.679 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.83 -9.69 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.07 1.348 . . . . 0.0 113.997 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.79 -179.93 6.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.432 1.893 . . . . 0.0 111.985 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 143.38 26.84 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.159 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.09 71.11 15.96 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 127.055 2.142 . . . . 0.0 110.863 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.62 165.12 33.48 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.974 3.116 . . . . 0.0 114.035 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.38 167.8 9.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.728 1.611 . . . . 0.0 110.212 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.73 -26.34 44.89 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -78.54 -16.37 57.53 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.586 1.554 . . . . 0.0 114.197 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -77.88 157.04 30.01 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.15 0.886 . . . . 0.0 112.423 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 50.08 0.61 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.309 1.444 . . . . 0.0 112.209 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.09 127.23 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.874 -1.141 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.65 130.11 12.97 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.348 1.059 . . . . 0.0 111.413 -176.339 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 45.91 36.91 3.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.77 1.628 . . . . 0.0 115.249 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 115.458 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -131.93 167.42 19.66 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.625 1.97 . . . . 0.0 110.733 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.04 137.34 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mt -74.86 129.49 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.02 151.99 25.59 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.716 0.807 . . . . 0.0 112.513 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.76 109.83 8.56 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.059 1.344 . . . . 0.0 110.241 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.37 -45.73 84.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.357 1.063 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -60.83 -38.43 85.43 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.615 -0.678 . . . . 0.0 111.925 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -70.32 -39.86 74.51 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.333 -0.854 . . . . 0.0 111.66 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.29 -29.62 65.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.57 1.148 . . . . 0.0 112.101 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.86 5.45 51.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.469 1.508 . . . . 0.0 113.263 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.01 5.92 70.07 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 118.566 2.186 . . . . 0.0 118.566 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -152.67 88.68 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.419 2.11 . . . . 0.0 112.104 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.1 t -52.88 126.18 19.41 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.019 1.328 . . . . 0.0 111.16 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -146.72 19.87 1.3 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.878 1.271 . . . . 0.0 114.221 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.03 145.08 56.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.26 -30.92 69.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.658 1.183 . . . . 0.0 113.006 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -156.46 95.58 1.58 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.975 2.51 . . . . 0.0 106.34 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.95 112.0 16.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.626 1.203 . . . . 0.0 110.779 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -132.19 0.65 3.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.217 2.607 . . . . 0.0 112.505 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -89.93 167.69 12.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.027 1.731 . . . . 0.0 111.272 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 tp -84.68 135.18 34.27 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.972 -1.08 . . . . 0.0 112.088 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -101.69 104.67 36.37 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 171.42 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -89.73 161.44 5.18 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 C-N-CA 122.993 2.462 . . . . 0.0 112.385 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.0 160.4 47.69 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.29 2.66 . . . . 0.0 111.702 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.3 -44.18 13.1 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.389 3.393 . . . . 0.0 116.218 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -62.27 -30.74 71.34 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -86.03 -31.66 21.86 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.403 1.081 . . . . 0.0 111.292 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -58.35 -46.34 86.46 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.644 1.111 . . . . 0.0 110.32 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -60.52 -41.92 95.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.038 0.535 . . . . 0.0 111.72 177.338 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.99 -40.23 94.93 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.68 -0.638 . . . . 0.0 110.954 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.69 -47.43 83.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.14 0.976 . . . . 0.0 111.02 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -63.4 -38.42 91.08 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.37 -0.831 . . . . 0.0 112.366 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.05 -48.16 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.546 0.738 . . . . 0.0 110.092 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -60.8 -41.9 96.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.228 0.611 . . . . 0.0 111.25 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.69 -56.28 25.96 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.22 0.914 . . . . 0.0 111.864 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -60.47 -38.41 84.13 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.27 -33.66 76.5 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.912 -0.492 . . . . 0.0 111.574 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.0 -30.91 71.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.371 1.5 pt? -100.11 0.43 40.67 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.7 tt -64.07 -11.51 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.397 1.479 . . . . 0.0 114.599 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -125.71 24.08 7.22 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.547 1.539 . . . . 0.0 113.975 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.34 -26.41 7.59 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.782 1.633 . . . . 0.0 114.817 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -62.83 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.661 1.584 . . . . 0.0 114.141 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 125.629 1.571 . . . . 0.0 111.449 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.164 1 O4'-C1'-N19 112.369 4.169 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 111.378 3.178 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.296 3.096 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.213 3.013 . 0.787 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 1 O4'-C1'-N19 114.093 5.893 . 0.528 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.873 0 O4'-C1'-C2' 102.898 -2.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C3'-C2'-C1' 104.303 3.114 . 0.06 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C3'-C2'-C1' 105.009 3.899 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 1 P-O3'-C3' 125.0 4.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.52 0 C5'-C4'-O4' 114.586 3.847 . 0.415 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.534 1 O3'-P-O5' 95.6 -4.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 O3'-P-O5' 97.673 -3.33 . 0.022 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 P-O3'-C3' 122.619 2.433 . 0.155 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 113.193 4.993 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.183 0 P-O3'-C3' 123.078 2.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.18 -7.01 51.13 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.283 1.433 . . . . 0.0 114.256 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.54 166.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.806 1.642 . . . . 0.0 113.307 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.8 p -145.52 175.24 10.49 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.964 1.705 . . . . 0.0 110.962 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 m -63.36 134.22 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 120.927 -1.108 . . . . 0.0 111.78 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.7 m -66.13 127.4 93.19 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 123.895 0.878 . . . . 0.0 111.146 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -76.1 -165.82 0.33 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 124.311 3.341 . . . . 0.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.05 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.147 -0.971 . . . . 0.0 111.549 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 0.15 89.89 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 129.629 3.172 . . . . 0.0 114.696 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.36 99.81 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.456 1.903 . . . . 0.0 114.189 -176.035 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -66.87 -16.98 64.66 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 119.785 -1.822 . . . . 0.0 113.21 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -59.1 -26.32 64.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.863 1.265 . . . . 0.0 113.491 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -87.23 -21.04 26.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.002 0.819 . . . . 0.0 112.2 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.33 -15.28 38.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.8 144.44 33.54 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -130.11 134.91 47.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.846 2.058 . . . . 0.0 110.349 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.06 140.71 58.36 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.553 1.541 . . . . 0.0 114.41 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -90.25 140.02 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.523 1.929 . . . . 0.0 110.404 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -61.94 124.12 19.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.385 1.074 . . . . 0.0 112.932 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -35.88 78.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.285 1.034 . . . . 0.0 112.293 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.66 -32.13 62.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.219 0.608 . . . . 0.0 111.083 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.6 -42.25 91.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.773 -1.204 . . . . 0.0 110.301 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.54 -16.18 54.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.384 1.474 . . . . 0.0 113.651 175.294 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.99 0.12 15.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.938 1.695 . . . . 0.0 112.686 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.18 28.0 70.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.912 1.244 . . . . 0.0 114.834 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.4 p -115.39 -14.97 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 t -68.99 144.01 54.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.402 1.001 . . . . 0.0 111.041 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.09 59.96 1.56 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.341 1.056 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -149.24 150.1 30.95 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 126.576 1.95 . . . . 0.0 110.551 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.96 156.71 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.109 1.873 . . . . 0.0 110.251 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -52.03 -33.15 37.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.003 0.921 . . . . 0.0 112.242 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -64.0 -24.67 67.8 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 127.463 2.305 . . . . 0.0 114.968 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -120.01 -18.68 8.09 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.1 163.61 25.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.428 1.109 . . . . 0.0 112.9 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -73.49 -19.39 60.94 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.557 1.943 . . . . 0.0 114.104 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.89 -179.71 6.37 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.208 2.203 . . . . 0.0 111.575 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 148.89 22.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -120.04 78.62 24.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.041 2.137 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.02 165.14 31.14 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.414 3.409 . . . . 0.0 115.188 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.6 p -105.46 175.62 5.43 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.367 1.867 . . . . 0.0 110.794 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.77 -21.64 66.52 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 m -91.57 -17.13 26.09 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.277 1.431 . . . . 0.0 113.68 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -65.58 147.35 53.55 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.686 0.675 . . . . 0.0 112.362 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -81.39 64.4 6.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.317 1.047 . . . . 0.0 111.654 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.75 135.37 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.236 1.415 . . . . 0.0 109.559 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -154.98 135.52 13.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.28 1.432 . . . . 0.0 110.823 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 42.76 39.49 1.7 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.228 1.811 . . . . 0.0 115.5 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.59 13.25 80.46 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 120.879 -1.138 . . . . 0.0 115.414 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -131.05 169.2 16.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.915 2.086 . . . . 0.0 110.556 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.21 137.97 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.3 mt -72.86 127.54 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.56 152.06 22.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.094 0.958 . . . . 0.0 113.026 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.35 106.09 3.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.82 1.648 . . . . 0.0 110.554 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.51 -42.52 64.38 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.403 1.081 . . . . 0.0 111.902 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -64.11 -32.88 74.61 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.57 -0.707 . . . . 0.0 112.007 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 t -69.36 -41.65 76.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.632 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.69 -33.06 71.09 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.412 1.006 . . . . 0.0 111.772 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -81.09 -2.46 48.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.814 1.246 . . . . 0.0 112.831 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.08 69.96 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 126.279 1.895 . . . . 0.0 117.291 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -154.64 92.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.391 1.595 . . . . 0.0 111.851 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.3 t -56.8 131.3 48.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.94 0.896 . . . . 0.0 109.345 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -154.35 19.94 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -89.8 134.7 34.05 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.916 -1.115 . . . . 0.0 111.714 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.06 -11.04 60.58 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.793 1.237 . . . . 0.0 114.269 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.14 52.59 2.05 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.811 2.044 . . . . 0.0 111.48 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.1 t -79.74 112.03 16.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.093 0.949 . . . . 0.0 110.935 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HE2' ' C8 ' ' B' ' 100' ' ' ' G' . 61.1 pttt -134.05 17.78 3.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.882 2.473 . . . . 0.0 112.66 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -109.38 170.03 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.033 2.133 . . . . 0.0 112.642 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.1 tp -84.53 135.11 34.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.995 -1.066 . . . . 0.0 111.925 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -97.73 104.82 23.07 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.65 150.0 16.55 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.383 2.055 . . . . 0.0 113.609 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.37 162.75 41.26 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.382 2.721 . . . . 0.0 110.793 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -42.97 -42.65 9.33 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.536 3.491 . . . . 0.0 117.015 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -66.09 -48.87 69.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.174 0.897 . . . . 0.0 112.954 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.82 -33.84 71.1 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.423 -0.798 . . . . 0.0 111.597 176.266 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.89 -47.05 87.32 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.137 1.375 . . . . 0.0 110.372 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.9 m -63.68 -42.99 97.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.356 0.663 . . . . 0.0 110.836 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.62 -38.77 91.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.655 0.661 . . . . 0.0 111.222 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.98 -46.01 89.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.63 0.772 . . . . 0.0 110.757 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.61 -37.86 85.49 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.291 -0.88 . . . . 0.0 111.789 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.3 -45.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.108 0.963 . . . . 0.0 110.235 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.68 -40.7 88.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.044 0.938 . . . . 0.0 110.314 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.39 -51.79 56.58 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.109 1.337 . . . . 0.0 110.918 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -47.17 75.33 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.666 1.233 . . . . 0.0 111.558 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.46 -48.45 81.7 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.135 -0.353 . . . . 0.0 111.383 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -62.81 -35.08 78.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.296 -0.877 . . . . 0.0 112.345 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.33 -34.36 78.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.147 1.779 . . . . 0.0 111.323 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.4 mt -78.85 -39.45 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.829 0.851 . . . . 0.0 109.718 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -83.29 33.26 0.45 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.079 1.752 . . . . 0.0 113.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -21.78 5.22 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.006 1.722 . . . . 0.0 114.68 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.93 -13.44 62.24 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.55 1.94 . . . . 0.0 113.672 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 127.382 2.273 . . . . 0.0 113.887 -178.404 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.176 0 C3'-C2'-C1' 103.974 2.749 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 O4'-C1'-N19 111.266 3.066 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.707 0 N19-C1'-C2' 117.821 2.763 . 0.099 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.363 0 O4'-C1'-N19 111.671 3.471 . 0.235 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 C1'-O4'-C4' 104.939 -5.179 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . 0.404 ' C8 ' ' HE2' ' A' ' 67' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 O4'-C1'-N19 110.889 2.689 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O3'-P-O5' 97.828 -3.248 . 0.164 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 O4'-C1'-N19 111.764 3.564 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 2 O4'-C1'-N19 115.591 7.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C5'-C4'-O4' 114.217 3.584 . 0.38 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 O4'-C1'-N19 113.904 5.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.191 0 O4'-C1'-N19 111.996 3.796 . 0.499 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 N19-C1'-C2' 117.385 2.491 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 P-O3'-C3' 122.383 2.236 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 O4'-C1'-N19 113.689 5.489 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 CA--C 1.544 0.74 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.15 167.41 26.93 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.034 1.734 . . . . 0.0 112.041 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.9 m -64.82 157.35 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.512 1.125 . . . . 0.0 112.923 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.7 t -153.14 175.98 12.42 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.194 1.397 . . . . 0.0 111.555 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.55 160.13 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.346 1.458 . . . . 0.0 112.96 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -62.43 134.87 95.11 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.689 1.195 . . . . 0.0 111.278 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.48 -55.09 1.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.84 2.36 . . . . 0.0 113.019 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 tt -120.23 155.3 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.715 1.606 . . . . 0.0 112.119 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -151.08 163.49 38.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.69 2.796 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -157.17 99.84 1.82 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -57.07 -18.75 15.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.24 -1.537 . . . . 0.0 114.662 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.07 -26.32 68.19 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.737 1.153 . . . . 0.0 113.019 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -80.29 -12.67 59.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.695 0.68 . . . . 0.0 112.367 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.72 -15.79 14.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.624 1.57 . . . . 0.0 113.57 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -79.9 151.64 30.04 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.62 1.555 . . . . 0.0 113.709 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.1 mt -133.08 138.88 46.88 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.891 2.076 . . . . 0.0 108.654 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.5 146.47 40.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.41 140.03 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.219 1.807 . . . . 0.0 109.807 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.16 134.5 57.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 112.419 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -68.52 -42.06 79.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.888 0.875 . . . . 0.0 111.567 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.79 -28.06 66.44 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.182 0.593 . . . . 0.0 111.502 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.7 -44.64 73.52 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.755 -1.216 . . . . 0.0 110.556 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.64 -35.26 80.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.152 0.981 . . . . 0.0 111.295 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -73.05 -20.36 60.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.094 1.758 . . . . 0.0 112.915 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 33.05 34.2 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.396 1.474 . . . . 0.0 113.736 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -128.16 -11.63 5.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.9 148.7 42.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.876 1.216 . . . . 0.0 112.415 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -140.0 59.82 1.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.804 1.242 . . . . 0.0 113.512 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -152.89 150.12 23.58 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 126.859 2.064 . . . . 0.0 110.764 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.08 158.75 48.92 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.159 1.906 . . . . 0.0 109.594 173.624 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.75 -33.5 23.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.237 1.015 . . . . 0.0 112.587 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -64.41 -25.84 68.19 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.385 2.274 . . . . 0.0 114.745 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -120.04 -14.76 8.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.89 157.68 32.98 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.036 0.834 . . . . 0.0 111.476 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.64 -9.52 58.75 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.219 1.408 . . . . 0.0 114.685 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -141.36 -179.9 6.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.805 2.042 . . . . 0.0 111.225 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 147.83 23.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -175.532 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -120.24 71.6 17.47 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 127.225 2.21 . . . . 0.0 111.186 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.69 165.11 33.1 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 124.023 3.149 . . . . 0.0 113.844 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 t -105.45 177.36 4.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.77 1.228 . . . . 0.0 111.62 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.12 -27.31 66.94 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.214 1.406 . . . . 0.0 113.468 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -80.16 -16.49 54.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.399 1.48 . . . . 0.0 114.141 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.7 m -78.87 150.44 32.21 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.201 0.909 . . . . 0.0 112.111 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -79.72 62.74 4.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.082 0.953 . . . . 0.0 111.405 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 t -72.73 129.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.229 1.412 . . . . 0.0 109.598 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -144.38 129.7 18.8 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.334 1.453 . . . . 0.0 111.634 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 42.43 40.46 1.88 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.907 1.683 . . . . 0.0 115.253 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.26 78.36 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.092 -1.005 . . . . 0.0 115.285 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -133.35 166.06 23.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.9 2.08 . . . . 0.0 110.48 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.6 138.46 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -75.83 126.68 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 151.33 30.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.561 0.745 . . . . 0.0 112.166 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 t -75.77 112.26 11.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.081 1.352 . . . . 0.0 110.523 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.73 -44.37 85.98 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.394 -0.816 . . . . 0.0 110.99 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -62.7 -39.72 94.9 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.888 -0.508 . . . . 0.0 111.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -69.11 -38.47 78.92 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.964 -1.085 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.79 -33.02 72.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.317 1.047 . . . . 0.0 110.9 174.446 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -6.89 52.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.595 1.558 . . . . 0.0 112.543 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 8.79 66.31 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 126.976 2.227 . . . . 0.0 116.267 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -155.89 92.88 1.4 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.925 1.363 . . . . 0.0 111.591 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.3 t -55.1 142.43 30.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.133 0.973 . . . . 0.0 110.268 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -112.17 20.0 17.23 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.923 1.289 . . . . 0.0 114.213 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -130.13 166.98 19.08 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.188 1.395 . . . . 0.0 114.472 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.17 6.77 5.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.58 2.352 . . . . 0.0 111.615 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -143.19 42.59 1.53 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.72 3.208 . . . . 0.0 109.246 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.76 142.7 35.16 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.051 0.94 . . . . 0.0 111.466 -174.604 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 6.33 3.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 114.959 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.26 166.98 11.3 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.449 1.5 . . . . 0.0 109.173 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -84.63 135.07 34.33 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.56 -1.338 . . . . 0.0 111.789 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -102.22 104.69 38.48 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -87.1 151.18 8.21 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.793 2.329 . . . . 0.0 114.966 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.58 164.23 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.083 3.188 . . . . 0.0 110.613 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.2 -41.65 9.81 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.498 3.466 . . . . 0.0 117.023 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -68.14 -54.22 19.58 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.57 1.077 . . . . 0.0 112.102 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.87 -34.02 75.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.2 0.909 . . . . 0.0 111.651 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.96 -42.28 97.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.575 1.15 . . . . 0.0 110.399 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -64.36 -42.88 95.99 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.526 0.73 . . . . 0.0 110.751 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.93 -39.13 88.23 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.393 -0.817 . . . . 0.0 110.931 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -46.01 86.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.985 . . . . 0.0 110.739 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.44 -44.2 89.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.858 . . . . 0.0 111.104 176.147 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.31 -43.99 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 0.0 110.598 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -60.5 -38.7 85.17 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.633 1.173 . . . . 0.0 111.046 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.85 27.24 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.769 1.176 . . . . 0.0 113.033 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -64.77 -25.54 67.97 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.74 -33.26 60.94 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.91 0.777 . . . . 0.0 112.105 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.77 -33.27 35.08 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.869 0.867 . . . . 0.0 112.438 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD11 " H2'" ' B' ' 103' ' ' ' U' . 3.7 mm? -64.52 -37.87 89.06 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.401 1.0 . . . . 0.0 110.309 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.28 -39.29 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.685 1.194 . . . . 0.0 111.06 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -160.44 116.09 2.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.317 1.447 . . . . 0.0 109.942 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -59.59 -33.69 71.79 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.93 -18.22 63.36 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.029 1.731 . . . . 0.0 114.281 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.913 1.685 . . . . 0.0 113.63 -178.952 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.311 0 O4'-C1'-N19 111.383 3.183 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.601 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 1 O4'-C1'-N19 112.287 4.087 . 0.261 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 112.731 4.531 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 O3'-P-O5' 99.22 -2.516 . 0.065 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.013 0 C5'-C4'-C3' 111.297 -2.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O4'-C1'-N19 111.697 3.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 2 O4'-C1'-N19 112.913 4.713 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 103' ' ' ' U' . . . . . 0.467 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 2.073 1 P-O3'-C3' 125.329 4.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear build full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.748 -2.952 . 0.091 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 O4'-C1'-N19 111.133 2.933 . 0.285 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C4'-C3'-C2' 100.185 -2.515 . 0.481 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-C2' 101.662 -3.384 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear build full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C4'-C3' 108.961 2.472 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear build full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O3'-P-O5' 99.844 -2.187 . 0.343 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t70 . . . . . 0 CA--C 1.544 0.713 0 CA-C-O 121.267 0.556 . . . . 0.0 111.65 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.6 p -70.35 -16.71 63.01 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.298 -1.501 . . . . 0.0 113.755 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -56.93 -30.0 63.6 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.904 1.282 . . . . 0.0 113.77 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 p-90 -82.04 -12.14 58.44 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 mt -107.36 -15.36 14.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.566 1.546 . . . . 0.0 113.367 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.77 150.4 30.79 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.919 1.236 . . . . 0.0 114.045 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -130.99 147.53 52.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.116 1.766 . . . . 0.0 109.455 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.39 137.62 35.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.584 1.154 . . . . 0.0 113.682 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.52 139.24 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.342 1.457 . . . . 0.0 109.242 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.79 132.61 52.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.938 0.875 . . . . 0.0 112.27 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.48 ' NH2' HE22 ' A' ' 23' ' ' GLN . 5.3 mmp_? -63.0 -37.78 88.56 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.551 1.14 . . . . 0.0 112.012 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.99 -28.68 39.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 112.51 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -63.45 -42.2 98.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.811 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.48 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.7 mt-30 -66.0 -16.24 63.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.108 1.363 . . . . 0.0 113.192 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -105.6 -5.83 19.79 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.524 1.93 . . . . 0.0 112.927 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.78 28.81 70.18 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.707 1.146 . . . . 0.0 113.52 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.4 p -118.14 -8.95 10.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.68 150.14 46.27 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 119.337 0.972 . . . . 0.0 111.49 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -140.03 59.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.779 1.232 . . . . 0.0 112.656 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.32 148.99 19.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 126.701 2.001 . . . . 0.0 110.727 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.22 159.71 49.03 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.154 1.903 . . . . 0.0 109.644 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -51.84 -31.25 26.9 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.079 0.951 . . . . 0.0 112.716 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -68.69 -22.49 64.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.386 2.275 . . . . 0.0 114.838 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -119.97 -19.06 8.0 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.64 160.24 32.55 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.03 0.919 . . . . 0.0 112.077 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.98 -20.44 61.02 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.986 1.714 . . . . 0.0 113.015 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -132.39 -179.95 5.75 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.467 1.907 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 145.6 25.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -120.14 74.97 22.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.896 2.078 . . . . 0.0 110.227 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.18 165.1 31.45 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.21 3.273 . . . . 0.0 114.224 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -100.09 172.71 7.03 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.592 1.557 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.53 -19.15 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.198 0.999 . . . . 0.0 112.991 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 m -89.22 -15.98 32.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.509 1.523 . . . . 0.0 113.539 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.1 m -73.95 149.99 41.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.996 0.816 . . . . 0.0 111.608 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -79.19 51.38 1.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.48 1.112 . . . . 0.0 112.495 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.65 134.25 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.318 1.447 . . . . 0.0 111.232 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -152.84 134.66 14.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.567 1.147 . . . . 0.0 111.131 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 43.01 38.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.296 1.839 . . . . 0.0 115.404 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.34 76.62 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.046 -1.034 . . . . 0.0 115.002 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -134.86 160.94 36.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.393 2.277 . . . . 0.0 110.626 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.53 140.56 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.14 128.01 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.07 23.58 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.378 0.671 . . . . 0.0 112.132 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.34 110.6 3.62 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.539 1.536 . . . . 0.0 111.487 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -52.51 -48.04 66.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.163 1.785 . . . . 0.0 111.173 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.78 -40.48 95.34 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.946 -0.472 . . . . 0.0 111.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.0 t -68.18 -40.78 82.17 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.141 -0.975 . . . . 0.0 111.721 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 79' ' ' LEU . 54.2 mt -59.05 -32.94 70.21 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 112.071 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -83.62 0.21 47.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.17 1.388 . . . . 0.0 112.78 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 8.53 66.92 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.476 1.989 . . . . 0.0 117.138 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -154.97 90.66 1.3 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.449 1.625 . . . . 0.0 112.224 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 t -55.23 144.08 25.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.161 0.984 . . . . 0.0 110.521 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m . . . . . 0 N--CA 1.48 1.046 0 C-N-CA 124.733 1.213 . . . . 0.0 113.531 -177.627 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 p . . . . . 0 CA--C 1.55 0.952 0 CA-C-O 122.717 1.246 . . . . 0.0 112.406 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -77.37 -7.67 56.45 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -89.97 169.51 11.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.021 1.328 . . . . 0.0 112.628 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.7 135.15 34.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.862 1.265 . . . . 0.0 111.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.7 104.7 40.4 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -88.42 162.08 6.75 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 123.352 2.701 . . . . 0.0 112.132 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.85 159.57 50.2 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.346 2.697 . . . . 0.0 111.912 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.91 -41.5 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.891 3.727 . . . . 0.0 116.708 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -64.17 -43.1 96.18 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.292 -0.88 . . . . 0.0 112.063 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.67 -33.54 66.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.496 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.45 -44.07 89.07 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.829 1.195 . . . . 0.0 109.75 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.1 m -63.71 -45.14 91.32 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.735 0.814 . . . . 0.0 111.382 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.6 -39.14 90.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.158 0.89 . . . . 0.0 111.284 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 57' ' ' LEU . 2.3 tm? -65.92 -46.14 79.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.724 0.809 . . . . 0.0 110.682 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.59 -35.91 81.05 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.056 -1.028 . . . . 0.0 111.948 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.66 -42.33 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.653 1.115 . . . . 0.0 109.957 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.63 -40.39 96.85 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.648 -0.658 . . . . 0.0 111.287 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.533 1.175 0 C-N-CA 123.797 0.713 . . . . 0.0 111.649 176.153 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.8 t0 . . . . . 0 N--CA 1.475 0.803 0 CA-C-O 122.005 0.907 . . . . 0.0 112.23 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -61.98 -17.27 56.46 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -59.18 -24.37 63.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -83.33 -20.53 34.17 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.69 -16.16 21.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.806 1.642 . . . . 0.0 113.102 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -79.71 149.01 31.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.71 1.596 . . . . 0.0 114.252 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -135.98 137.65 41.48 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.75 2.02 . . . . 0.0 108.978 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -75.66 144.79 41.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 113.703 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -88.01 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.161 2.184 . . . . 0.0 110.803 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.79 134.53 55.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.492 1.117 . . . . 0.0 113.062 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.49 -37.44 87.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 112.348 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.58 -31.52 41.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.116 0.966 . . . . 0.0 111.82 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.63 -42.26 99.49 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -63.55 -16.37 60.61 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.039 1.335 . . . . 0.0 113.404 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -109.21 -0.0 19.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.033 2.133 . . . . 0.0 112.829 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 25.1 75.58 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.01 1.29 . . . . 0.0 114.549 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 p -110.16 -15.29 14.04 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.96 140.1 47.17 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.425 1.012 . . . . 0.0 109.794 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -140.04 59.88 1.56 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.15 0.98 . . . . 0.0 113.589 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -158.47 155.69 25.95 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.54 159.41 52.91 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.134 1.889 . . . . 0.0 111.594 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.66 -38.31 54.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.084 1.354 . . . . 0.0 112.077 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m -61.56 -28.01 69.03 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 113.737 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -97.31 -30.44 12.96 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.647 1.179 . . . . 0.0 112.287 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -74.21 170.02 16.4 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.057 0.932 . . . . 0.0 112.946 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -90.86 -13.39 33.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.803 1.641 . . . . 0.0 113.111 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -136.15 -179.87 5.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.52 1.928 . . . . 0.0 112.175 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.77 147.46 23.8 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -120.12 68.89 13.66 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 127.56 2.344 . . . . 0.0 111.614 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.75 165.13 33.49 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.378 3.385 . . . . 0.0 114.458 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -95.33 169.47 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.836 1.255 . . . . 0.0 111.38 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -19.81 57.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.306 1.043 . . . . 0.0 113.772 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -91.65 -13.53 31.67 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.632 1.573 . . . . 0.0 113.791 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -72.47 158.93 34.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.005 0.82 . . . . 0.0 112.513 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.74 39.95 0.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.165 2.186 . . . . 0.0 113.137 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.7 130.14 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.321 1.448 . . . . 0.0 111.748 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -153.97 139.72 18.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.827 1.251 . . . . 0.0 111.177 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.9 t30 43.8 31.95 0.54 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.599 1.959 . . . . 0.0 115.394 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 10.48 69.37 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 120.782 -1.199 . . . . 0.0 115.951 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 167.2 22.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.999 1.9 . . . . 0.0 112.323 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.77 140.58 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.444 1.097 . . . . 0.0 108.659 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mt -76.57 128.23 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 149.35 32.97 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.033 0.933 . . . . 0.0 113.02 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.95 112.48 7.15 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.515 1.526 . . . . 0.0 111.39 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.08 -46.27 85.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.961 1.305 . . . . 0.0 111.477 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -64.09 -39.26 93.66 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.654 -0.654 . . . . 0.0 112.018 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 t -67.22 -39.73 86.29 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.29 -0.881 . . . . 0.0 111.535 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -59.93 -33.03 71.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.123 0.969 . . . . 0.0 111.99 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.62 0.02 40.37 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.131 1.372 . . . . 0.0 112.84 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 5.96 69.89 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.247 1.88 . . . . 0.0 117.034 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.71 90.51 1.48 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.345 1.573 . . . . 0.0 110.938 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.89 129.7 43.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.052 0.941 . . . . 0.0 110.468 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p . . . . . 0 N--CA 1.475 0.823 0 C-N-CA 124.737 1.215 . . . . 0.0 113.783 -176.902 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.6 t . . . . . 0 CA--C 1.546 0.825 0 CA-C-O 121.919 0.866 . . . . 0.0 111.419 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -130.84 2.15 4.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 127.547 2.339 . . . . 0.0 112.615 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.02 167.56 12.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.415 1.886 . . . . 0.0 111.764 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.4 tp -84.62 135.29 34.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.182 0.993 . . . . 0.0 111.791 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -98.18 104.73 24.32 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.63 150.79 13.04 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.913 2.409 . . . . 0.0 113.547 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.1 158.94 48.57 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.818 3.012 . . . . 0.0 110.95 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.29 -40.36 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 124.307 3.338 . . . . 0.0 116.24 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.75 -28.37 67.57 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.0 -28.82 23.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.135 0.88 . . . . 0.0 111.189 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -55.37 -35.14 64.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.641 0.655 . . . . 0.0 111.058 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.7 m -58.65 -46.21 87.66 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.302 0.641 . . . . 0.0 112.242 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.39 -36.51 79.24 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.313 -0.867 . . . . 0.0 110.507 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -44.04 97.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.749 . . . . 0.0 110.541 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.96 -44.14 93.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.195 -0.941 . . . . 0.0 111.774 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.09 -48.81 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.761 0.824 . . . . 0.0 110.472 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.1 -46.75 88.55 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 110.823 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.653 0 C-N-CA 124.632 1.111 . . . . 0.0 112.408 176.723 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 . . . . . 0 CA--C 1.545 0.762 0 CA-C-O 121.548 0.69 . . . . 0.0 112.271 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.2 p -57.11 -18.2 13.87 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.7 -29.45 66.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.515 1.126 . . . . 0.0 113.511 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -83.92 -16.23 45.02 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.442 0.564 . . . . 0.0 112.288 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.48 -17.22 21.65 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.584 1.554 . . . . 0.0 113.057 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -79.78 147.66 31.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 114.038 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.9 mt -130.03 143.38 50.76 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.898 2.079 . . . . 0.0 109.069 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.57 143.87 51.42 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.92 137.83 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.474 1.11 . . . . 0.0 109.27 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.34 131.48 50.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.557 1.143 . . . . 0.0 112.3 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -67.68 -39.45 84.46 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.077 0.951 . . . . 0.0 111.645 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.26 -28.67 64.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.185 0.594 . . . . 0.0 111.654 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.34 -42.54 83.4 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.815 -1.178 . . . . 0.0 110.348 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.29 -38.68 90.98 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.223 1.009 . . . . 0.0 111.233 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.33 -20.37 62.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.516 1.527 . . . . 0.0 112.864 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.06 36.91 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.206 1.384 . . . . 0.0 113.329 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -122.32 -14.6 7.85 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.589 1.556 . . . . 0.0 114.802 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.55 141.44 53.82 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.602 1.092 . . . . 0.0 110.933 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -139.94 59.77 1.57 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.573 1.149 . . . . 0.0 112.539 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -150.25 151.5 31.65 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 127.091 2.156 . . . . 0.0 110.362 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.33 158.9 50.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 122.181 1.921 . . . . 0.0 110.577 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -51.63 -33.2 32.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.396 1.078 . . . . 0.0 112.185 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 -23.43 67.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.827 2.451 . . . . 0.0 114.997 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -116.53 -23.76 8.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.59 161.17 31.12 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 122.099 0.952 . . . . 0.0 112.497 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.35 -20.5 58.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.949 1.7 . . . . 0.0 113.044 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -133.49 -179.78 5.73 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.329 1.852 . . . . 0.0 112.178 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 145.92 24.81 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -119.98 76.42 22.23 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.154 2.182 . . . . 0.0 110.875 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -69.93 165.08 32.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.53 2.82 . . . . 0.0 114.61 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.65 169.42 8.48 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.661 1.984 . . . . 0.0 110.274 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -55.81 -31.66 62.87 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -84.89 -14.17 48.64 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 114.337 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.1 m -69.36 148.37 49.75 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.184 0.902 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -80.45 61.53 4.23 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.958 0.885 . . . . 0.0 112.076 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -66.46 135.02 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 108.511 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -146.96 119.82 8.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.3 1.44 . . . . 0.0 111.249 -174.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.0 t30 43.35 43.43 4.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.013 1.725 . . . . 0.0 114.366 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.83 18.91 78.39 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 121.197 -0.939 . . . . 0.0 115.087 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -128.88 170.03 13.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.396 2.279 . . . . 0.0 109.381 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.66 135.06 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.37 128.1 35.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.68 151.99 24.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.637 0.775 . . . . 0.0 112.347 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.98 111.35 9.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.109 1.364 . . . . 0.0 110.217 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.03 -46.43 75.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.234 1.014 . . . . 0.0 110.919 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.41 -39.6 91.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.958 0.503 . . . . 0.0 111.957 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 t -70.33 -37.65 74.72 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.921 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.69 -28.46 68.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.367 1.067 . . . . 0.0 111.923 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.05 0.52 57.52 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.421 1.488 . . . . 0.0 112.762 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 9.55 65.46 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 126.283 1.897 . . . . 0.0 117.737 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -154.26 89.54 1.29 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.917 1.858 . . . . 0.0 112.479 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -51.25 133.99 28.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.009 1.323 . . . . 0.0 110.582 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.4 m . . . . . 0 N--CA 1.479 1.013 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -172.49 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.3 t . . . . . 0 CA--C 1.544 0.744 0 CA-C-O 122.578 1.18 . . . . 0.0 109.322 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -132.86 8.73 4.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.02 2.528 . . . . 0.0 114.009 -171.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -101.03 169.05 9.21 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.316 1.846 . . . . 0.0 111.359 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.58 135.17 34.31 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.115 -0.99 . . . . 0.0 111.334 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -101.68 104.63 36.07 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.89 152.05 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.481 2.12 . . . . 0.0 113.15 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.75 162.29 41.88 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.262 2.642 . . . . 0.0 110.806 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.85 -40.25 8.1 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.638 3.559 . . . . 0.0 116.781 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.17 -52.23 43.95 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.421 1.009 . . . . 0.0 112.73 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.19 -35.99 81.89 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.439 -0.788 . . . . 0.0 111.607 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -58.41 -46.54 86.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.45 1.5 . . . . 0.0 110.135 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -64.41 -42.66 95.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.317 0.647 . . . . 0.0 111.269 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.12 -38.45 88.98 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.329 0.968 . . . . 0.0 111.192 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.84 -49.67 73.98 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.848 0.859 . . . . 0.0 110.408 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.13 -39.19 89.08 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.608 -0.682 . . . . 0.0 112.094 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.48 -46.35 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.717 0.807 . . . . 0.0 110.196 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.19 -41.61 99.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.231 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.531 1.062 0 C-N-CA 124.109 0.861 . . . . 0.0 112.098 176.572 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t0 . . . . . 0 CA--C 1.545 0.761 0 N-CA-C 114.887 1.44 . . . . 0.0 114.887 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -69.92 -14.53 62.76 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.936 -1.728 . . . . 0.0 114.533 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -59.46 -28.91 67.41 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.221 1.008 . . . . 0.0 113.403 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -86.44 -16.55 36.83 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.165 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.91 -14.42 23.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.79 1.636 . . . . 0.0 113.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.85 147.14 31.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.418 1.463 . . . . 0.0 114.071 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.3 mt -130.51 149.24 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.032 2.133 . . . . 0.0 110.099 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.95 139.18 31.43 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.785 1.234 . . . . 0.0 113.943 -175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.13 139.89 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 110.642 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.54 125.43 23.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.707 0.803 . . . . 0.0 111.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.0 -29.74 70.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.624 0.77 . . . . 0.0 112.868 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.3 -37.25 60.93 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.449 0.568 . . . . 0.0 110.136 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.83 -41.07 96.03 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.555 -1.341 . . . . 0.0 110.612 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.06 -18.99 50.7 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.967 1.707 . . . . 0.0 112.732 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -111.29 0.07 16.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.707 2.003 . . . . 0.0 113.278 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.73 30.08 68.8 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.013 1.292 . . . . 0.0 114.752 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -119.88 -7.85 9.92 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -176.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.91 146.54 49.49 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.599 1.09 . . . . 0.0 111.36 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -139.93 59.79 1.57 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.948 1.299 . . . . 0.0 111.916 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -150.45 150.44 28.88 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.93 2.092 . . . . 0.0 110.093 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.13 151.22 49.23 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 122.175 1.917 . . . . 0.0 110.36 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -51.69 -34.0 36.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.455 1.102 . . . . 0.0 112.709 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -64.61 -23.25 67.2 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.423 1.889 . . . . 0.0 114.42 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -120.0 -20.97 7.28 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.68 146.6 51.47 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 118.814 0.734 . . . . 0.0 110.345 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -66.39 -10.16 40.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -136.58 -179.95 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.507 1.923 . . . . 0.0 111.549 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 146.87 24.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.977 0.911 . . . . 0.0 113.195 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -120.11 74.43 21.03 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.107 2.163 . . . . 0.0 109.823 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.4 165.11 32.76 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.968 3.112 . . . . 0.0 114.724 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.9 m -105.45 168.44 9.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.928 1.691 . . . . 0.0 110.582 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -55.58 -25.44 38.28 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -77.17 -14.82 59.72 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.357 1.463 . . . . 0.0 114.09 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -81.13 158.75 24.88 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.206 1.002 . . . . 0.0 112.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -80.54 51.08 1.4 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.501 1.121 . . . . 0.0 112.411 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.13 118.91 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.062 1.345 . . . . 0.0 111.222 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.39 138.96 17.77 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.503 1.121 . . . . 0.0 110.878 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 44.91 34.5 1.24 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.022 1.729 . . . . 0.0 114.97 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 24.42 72.0 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 120.868 -1.145 . . . . 0.0 114.617 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -136.0 160.05 39.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.373 2.269 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.76 140.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.599 1.16 . . . . 0.0 109.006 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -77.5 126.66 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.0 152.11 24.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.451 0.7 . . . . 0.0 112.241 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.97 110.21 7.1 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.126 1.37 . . . . 0.0 110.43 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.47 -40.24 82.17 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.196 -0.94 . . . . 0.0 111.666 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -62.89 -39.74 95.41 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.711 -0.618 . . . . 0.0 111.31 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -68.81 -40.22 79.66 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.055 -1.028 . . . . 0.0 111.681 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.71 -33.01 72.24 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.168 -0.957 . . . . 0.0 111.188 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -78.04 -6.95 56.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.091 1.757 . . . . 0.0 112.466 174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 10.86 64.09 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 127.026 2.251 . . . . 0.0 117.006 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -156.34 93.97 1.45 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.133 1.466 . . . . 0.0 111.447 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -56.28 139.48 48.02 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.723 1.209 . . . . 0.0 110.348 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 m . . . . . 0 N--CA 1.483 1.186 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -174.972 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 t . . . . . 0 CA--C 1.546 0.818 0 CA-C-O 121.236 0.541 . . . . 0.0 110.805 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 19.58 3.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.58 170.09 8.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.331 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -84.67 135.16 34.28 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.931 -1.106 . . . . 0.0 111.964 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -101.33 104.71 35.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -82.25 153.01 16.18 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.617 2.212 . . . . 0.0 114.566 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.74 161.1 39.99 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.0 3.134 . . . . 0.0 110.177 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -44.39 -43.14 13.8 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.13 3.22 . . . . 0.0 116.733 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -65.16 -43.83 90.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.259 0.936 . . . . 0.0 113.121 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -76.66 -32.33 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.596 0.758 . . . . 0.0 110.989 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.29 -37.49 85.72 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.262 1.425 . . . . 0.0 110.406 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -64.88 -43.4 93.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.298 0.639 . . . . 0.0 110.512 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -61.97 -36.08 80.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.822 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.13 -50.38 66.26 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.497 0.719 . . . . 0.0 111.155 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.79 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.888 1.222 . . . . 0.0 112.648 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.01 -44.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.499 -0.751 . . . . 0.0 109.485 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -39.31 92.63 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.533 -0.73 . . . . 0.0 110.594 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.638 0 C-N-CA 124.861 1.219 . . . . 0.0 111.684 178.522 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 121.198 0.523 . . . . 0.0 111.189 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -60.18 -17.18 39.17 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -50.46 -32.85 19.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.053 1.741 . . . . 0.0 114.879 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -86.42 -25.08 25.44 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.749 0.704 . . . . 0.0 112.325 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -82.94 -17.75 42.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.285 1.434 . . . . 0.0 112.653 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.84 144.29 33.61 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -133.47 136.35 45.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.088 2.155 . . . . 0.0 109.398 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.66 143.71 57.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.74 140.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.216 1.806 . . . . 0.0 109.78 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.29 126.52 27.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.231 1.013 . . . . 0.0 112.092 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.41 -41.09 88.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.29 1.036 . . . . 0.0 111.544 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.54 -28.94 63.15 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.342 0.657 . . . . 0.0 111.582 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.84 -43.46 71.89 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.935 -1.103 . . . . 0.0 110.012 174.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.4 -38.99 89.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.219 1.008 . . . . 0.0 111.02 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -72.51 -18.02 61.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.46 1.504 . . . . 0.0 113.033 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.73 38.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.196 1.379 . . . . 0.0 113.976 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -123.4 -16.88 6.71 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.41 143.36 57.96 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.73 1.15 . . . . 0.0 111.559 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 p -140.12 59.7 1.56 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.728 1.211 . . . . 0.0 112.82 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -148.49 151.6 36.63 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.536 1.935 . . . . 0.0 110.379 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.22 155.97 51.38 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.186 1.924 . . . . 0.0 110.759 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.63 -32.31 41.13 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.347 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -23.75 67.34 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.419 2.288 . . . . 0.0 114.866 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.15 -19.61 7.69 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.04 162.91 28.61 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 122.063 0.935 . . . . 0.0 112.359 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.82 -14.95 59.86 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.913 1.685 . . . . 0.0 114.483 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -142.19 -179.82 6.47 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.189 2.195 . . . . 0.0 111.449 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 148.62 23.14 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -120.07 79.16 25.68 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 127.062 2.145 . . . . 0.0 110.7 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -67.13 165.15 27.48 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 124.036 3.157 . . . . 0.0 114.926 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -105.48 172.11 6.97 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.87 1.668 . . . . 0.0 111.061 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.7 -24.64 64.13 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.166 0.986 . . . . 0.0 112.821 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -89.41 -12.4 40.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.606 1.562 . . . . 0.0 114.365 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -73.5 142.67 46.75 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.63 1.104 . . . . 0.0 112.242 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -80.53 59.63 3.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.19 0.996 . . . . 0.0 111.443 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.09 138.01 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.477 1.511 . . . . 0.0 109.941 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.31 139.7 19.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.736 1.214 . . . . 0.0 112.188 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.9 t30 42.12 37.38 0.85 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 126.132 1.773 . . . . 0.0 115.453 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.06 77.11 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.932 -1.105 . . . . 0.0 115.277 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.21 162.09 30.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.89 2.076 . . . . 0.0 111.065 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.59 137.59 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.61 130.02 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.51 149.9 29.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.956 0.903 . . . . 0.0 112.645 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.31 100.48 4.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.727 1.611 . . . . 0.0 109.358 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 87.0 t80 -52.49 -42.78 64.56 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.904 1.282 . . . . 0.0 112.786 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.18 -32.83 74.32 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.705 -0.622 . . . . 0.0 111.798 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 t -71.94 -35.04 69.49 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.257 -0.902 . . . . 0.0 111.431 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.32 -32.97 69.0 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.121 -0.987 . . . . 0.0 111.645 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' ' CZ ' ' A' ' 54' ' ' PHE . 66.3 mttm -83.83 -0.36 50.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.718 1.607 . . . . 0.0 113.376 176.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.4 8.85 82.75 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.693 1.616 . . . . 0.0 116.038 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.84 89.08 1.51 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.23 1.515 . . . . 0.0 111.622 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.7 t -57.97 137.27 56.93 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 109.364 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p . . . . . 0 N--CA 1.478 0.967 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 -175.468 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.6 p . . . . . 0 CA--C 1.547 0.831 0 CA-C-O 123.522 1.63 . . . . 0.0 113.69 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -118.78 27.75 8.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.704 2.802 . . . . 0.0 112.607 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -129.61 168.75 15.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.342 1.857 . . . . 0.0 113.181 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.77 135.14 34.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.524 1.13 . . . . 0.0 111.824 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -97.98 104.78 23.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.99 149.46 17.65 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.292 1.995 . . . . 0.0 113.415 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.69 161.25 46.65 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.173 2.582 . . . . 0.0 110.514 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.92 -42.18 9.07 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.449 3.432 . . . . 0.0 117.025 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -66.02 -47.39 74.59 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.385 0.993 . . . . 0.0 113.039 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 mt -71.28 -34.48 70.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.529 -0.732 . . . . 0.0 111.34 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -60.54 -43.32 97.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 110.526 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -63.51 -43.05 98.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.474 0.709 . . . . 0.0 110.84 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -61.99 -37.22 84.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.898 0.772 . . . . 0.0 111.073 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -48.81 74.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 110.37 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.13 -39.26 81.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.538 -0.727 . . . . 0.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.08 -46.01 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.594 0.757 . . . . 0.0 110.141 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -39.81 93.99 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.659 -0.65 . . . . 0.0 111.157 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.527 0.788 0 C-N-CA 124.513 1.054 . . . . 0.0 110.985 178.184 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 . . . . . 0 N--CA 1.473 0.692 0 N-CA-C 113.028 0.751 . . . . 0.0 113.028 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -63.26 -18.78 63.94 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.118 -1.613 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.79 -35.51 76.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.183 0.993 . . . . 0.0 113.076 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -76.81 -17.16 59.19 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.888 0.767 . . . . 0.0 112.072 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.7 -17.0 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.54 1.536 . . . . 0.0 113.493 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.75 144.74 33.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.774 1.624 . . . . 0.0 113.559 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.63 144.78 51.66 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.251 1.82 . . . . 0.0 109.31 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -82.7 142.88 31.32 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.37 140.06 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.914 1.686 . . . . 0.0 110.103 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.37 128.45 37.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.006 0.922 . . . . 0.0 112.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.65 -33.44 71.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.513 1.125 . . . . 0.0 112.828 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.92 -30.88 40.12 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.565 0.746 . . . . 0.0 111.377 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.83 -39.19 90.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.709 -1.244 . . . . 0.0 110.507 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.01 -16.27 50.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.605 1.162 . . . . 0.0 113.367 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -111.52 0.08 16.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.719 2.008 . . . . 0.0 112.653 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.97 77.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.957 1.265 . . . . 0.0 114.744 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.5 p -104.2 -23.66 13.23 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.714 1.257 . . . . 0.0 114.03 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.56 130.83 43.52 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.458 1.027 . . . . 0.0 109.545 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -137.28 59.78 1.67 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.034 0.934 . . . . 0.0 112.568 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -151.62 155.46 34.12 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.825 2.45 . . . . 0.0 109.46 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.25 153.27 71.51 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.179 1.919 . . . . 0.0 111.163 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.09 -28.7 54.47 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.032 0.933 . . . . 0.0 113.409 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -65.5 -31.87 73.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.69 1.196 . . . . 0.0 112.423 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.54 -37.56 16.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.683 1.193 . . . . 0.0 111.359 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.05 170.07 12.14 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.658 1.183 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -95.5 -5.57 42.56 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.657 1.583 . . . . 0.0 114.401 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.51 -179.96 6.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.702 2.001 . . . . 0.0 111.277 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 147.06 23.99 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.366 -0.834 . . . . 0.0 112.992 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.08 77.67 24.28 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.391 1.876 . . . . 0.0 110.025 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -67.09 165.14 27.46 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.151 3.234 . . . . 0.0 114.298 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -105.4 167.84 9.48 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.872 1.669 . . . . 0.0 110.776 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -55.7 -25.98 42.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -82.08 -21.65 36.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.27 1.428 . . . . 0.0 113.486 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.5 m -69.08 141.51 54.72 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.454 -0.779 . . . . 0.0 110.374 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -82.2 58.06 3.85 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.149 0.975 . . . . 0.0 111.966 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.84 134.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.503 1.921 . . . . 0.0 110.201 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -150.13 129.75 13.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.409 1.084 . . . . 0.0 112.051 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 44.21 38.0 2.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.106 1.763 . . . . 0.0 115.381 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.1 11.14 81.63 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -134.95 166.4 23.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.257 1.823 . . . . 0.0 110.998 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.65 139.44 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -74.89 126.0 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 152.1 26.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.565 0.746 . . . . 0.0 112.541 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.3 t -71.0 110.47 5.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.917 1.287 . . . . 0.0 110.934 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.43 -40.28 86.24 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.901 1.28 . . . . 0.0 111.608 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.31 -42.99 92.45 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 111.182 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -66.58 -37.89 85.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.282 -0.886 . . . . 0.0 111.942 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -33.03 72.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.56 1.144 . . . . 0.0 112.16 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.54 3.34 37.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.797 1.239 . . . . 0.0 112.756 174.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 7.67 67.93 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.314 1.911 . . . . 0.0 117.408 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -153.16 89.26 1.35 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.836 1.818 . . . . 0.0 112.795 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.72 130.26 45.61 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 109.594 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 p . . . . . 0 N--CA 1.476 0.86 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.916 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t . . . . . 0 CA--C 1.55 0.963 0 CA-C-O 121.523 0.678 . . . . 0.0 111.737 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.11 9.83 3.83 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.149 2.18 . . . . 0.0 113.877 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -89.93 170.21 10.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.549 1.939 . . . . 0.0 111.83 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.63 135.12 34.31 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.065 -1.022 . . . . 0.0 111.05 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -100.36 104.78 32.33 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -77.5 162.42 30.55 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.542 2.161 . . . . 0.0 113.558 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.54 158.24 56.51 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.953 2.435 . . . . 0.0 109.781 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.39 -41.93 17.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.148 3.232 . . . . 0.0 116.23 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -66.37 -42.22 88.29 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.403 -0.811 . . . . 0.0 113.001 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 45.5 mt -72.26 -35.81 68.87 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.917 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -58.62 -44.0 89.85 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.636 1.107 . . . . 0.0 110.143 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 m -62.99 -44.87 94.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.051 0.54 . . . . 0.0 111.06 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -62.08 -41.89 98.64 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.198 0.908 . . . . 0.0 111.005 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -48.21 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.672 1.189 . . . . 0.0 110.507 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.7 -33.22 75.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.465 -0.772 . . . . 0.0 112.77 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.26 -46.4 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.417 1.008 . . . . 0.0 109.621 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -59.42 -43.36 93.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.851 0.86 . . . . 0.0 110.288 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.925 0 C-N-CA 124.698 1.142 . . . . 0.0 112.008 176.947 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.4 t0 . . . . . 0 CA--C 1.544 0.715 0 CA-C-O 121.151 0.501 . . . . 0.0 111.249 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -56.04 -13.77 2.16 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.93 -30.8 66.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.658 1.183 . . . . 0.0 112.961 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -82.64 -26.51 32.12 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.646 . . . . 0.0 112.028 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -83.69 -14.84 50.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.949 1.3 . . . . 0.0 112.589 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 149.02 31.12 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.471 1.487 . . . . 0.0 114.11 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -132.52 139.77 48.04 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.548 2.339 . . . . 0.0 108.561 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -71.51 148.04 47.14 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.956 0.884 . . . . 0.0 113.36 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -98.45 140.0 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.255 1.822 . . . . 0.0 110.178 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.32 133.17 55.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.662 0.785 . . . . 0.0 112.105 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -66.96 -42.62 84.87 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.322 -0.861 . . . . 0.0 111.897 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.19 -30.36 70.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.471 0.708 . . . . 0.0 111.758 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.64 -40.39 92.45 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.25 -31.98 72.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.124 0.97 . . . . 0.0 111.711 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -79.67 -14.64 58.64 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 0.0 112.753 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.18 43.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.157 1.36 . . . . 0.0 113.618 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -122.15 -13.9 8.06 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.37 147.04 53.89 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 119.865 1.211 . . . . 0.0 111.422 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -140.09 59.8 1.56 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.467 1.107 . . . . 0.0 113.87 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -153.11 151.64 26.44 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 126.492 1.917 . . . . 0.0 111.086 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.75 157.07 52.55 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.895 1.73 . . . . 0.0 108.601 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.04 -28.13 36.56 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.074 -1.017 . . . . 0.0 113.442 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -64.66 -26.95 68.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.948 1.699 . . . . 0.0 113.389 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -113.68 -16.41 12.32 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.563 1.145 . . . . 0.0 113.933 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.5 t -79.79 170.09 17.01 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -82.12 -15.71 52.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.261 1.424 . . . . 0.0 113.729 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -139.61 -179.72 6.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.637 1.975 . . . . 0.0 112.075 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.6 148.38 23.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.438 -0.789 . . . . 0.0 112.733 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -120.28 81.21 29.46 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.584 1.954 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.26 165.03 30.09 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 124.238 3.292 . . . . 0.0 114.991 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.3 m -105.38 166.86 10.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.949 1.7 . . . . 0.0 110.02 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -55.61 -30.49 60.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.448 1.099 . . . . 0.0 113.672 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.1 m -78.41 -13.98 59.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.722 1.609 . . . . 0.0 114.568 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -77.78 149.02 34.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.565 1.075 . . . . 0.0 112.266 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -79.05 61.75 3.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.103 0.961 . . . . 0.0 111.889 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.09 130.16 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.65 1.18 . . . . 0.0 109.438 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -150.79 136.19 17.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.327 1.451 . . . . 0.0 111.38 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.2 33.16 3.48 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.798 1.639 . . . . 0.0 114.959 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.256 -0.903 . . . . 0.0 113.672 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 mtm-85 -139.01 170.12 16.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.702 2.401 . . . . 0.0 111.153 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.41 138.14 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 51' ' ' ILE . 3.6 mp -72.52 125.28 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.86 151.9 38.96 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.574 -0.704 . . . . 0.0 112.494 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.04 101.8 7.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.703 1.601 . . . . 0.0 110.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -36.95 74.16 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.995 -1.066 . . . . 0.0 110.346 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -40.0 69.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.654 1.582 . . . . 0.0 110.823 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t -76.04 -41.82 49.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.281 1.432 . . . . 0.0 112.937 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.87 -33.13 68.37 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.86 1.209 . . . . 0.0 111.708 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -81.15 -5.02 57.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.965 1.306 . . . . 0.0 113.288 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.8 25.98 59.38 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 117.226 1.65 . . . . 0.0 117.226 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.43 26.75 1.04 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 t -44.7 121.84 2.89 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 113.001 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 CA--C 1.546 0.795 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -175.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 t . . . . . 0 CA--C 1.546 0.799 0 CA-C-O 122.096 0.95 . . . . 0.0 109.376 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -129.07 14.13 6.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.467 2.307 . . . . 0.0 114.365 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -112.46 166.75 11.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.607 1.563 . . . . 0.0 111.42 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.76 135.1 34.27 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.943 -1.098 . . . . 0.0 111.963 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -95.52 104.93 17.48 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.04 141.97 15.16 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.488 2.126 . . . . 0.0 115.082 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.21 163.85 35.58 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 123.837 3.025 . . . . 0.0 109.935 171.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -42.92 -42.82 9.25 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.681 3.587 . . . . 0.0 117.433 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -66.3 -37.6 85.79 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.077 -1.014 . . . . 0.0 112.704 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.36 -28.18 41.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.499 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -39.48 79.94 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.32 1.418 . . . . 0.0 110.141 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -65.83 -44.43 85.59 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.104 0.561 . . . . 0.0 110.602 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -60.42 -43.46 96.73 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 111.12 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.11 -47.28 85.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.644 1.578 . . . . 0.0 110.012 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.09 -45.75 93.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.38 0.672 . . . . 0.0 111.577 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.14 -46.81 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.94 0.896 . . . . 0.0 110.654 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -59.89 -44.25 94.33 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.956 0.902 . . . . 0.0 110.681 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.895 0 C-N-CA 124.685 1.136 . . . . 0.0 112.771 176.645 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 t0 . . . . . 0 CA--C 1.545 0.771 0 CA-C-O 120.825 0.345 . . . . 0.0 111.047 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -54.45 -17.15 2.81 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.39 -28.85 69.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.54 1.136 . . . . 0.0 112.605 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -85.57 -25.61 26.62 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.925 0.784 . . . . 0.0 112.043 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.81 -18.73 39.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.702 1.201 . . . . 0.0 113.247 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.97 152.21 29.63 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.227 1.376 . . . . 0.0 114.238 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.01 151.66 51.01 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.587 1.955 . . . . 0.0 109.134 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -93.22 139.54 30.5 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.346 1.058 . . . . 0.0 113.241 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -82.93 140.05 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.797 1.639 . . . . 0.0 110.324 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.0 t -58.63 132.91 55.22 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.166 0.986 . . . . 0.0 111.819 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -65.77 -43.62 88.26 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.14 -0.975 . . . . 0.0 111.351 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.87 -25.57 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.338 0.655 . . . . 0.0 112.028 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -70.69 -44.57 66.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.698 -1.251 . . . . 0.0 110.369 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.37 -36.87 85.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.25 -19.42 63.13 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.758 2.023 . . . . 0.0 112.919 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 31.46 39.17 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.297 1.427 . . . . 0.0 114.112 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 p -128.93 -14.19 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -61.09 140.31 57.9 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.048 1.295 . . . . 0.0 111.399 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -137.52 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 111.774 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -147.84 147.43 27.02 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 126.922 2.089 . . . . 0.0 109.897 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.25 152.37 55.69 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 122.039 1.826 . . . . 0.0 110.198 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -52.27 -32.77 38.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.473 1.109 . . . . 0.0 112.866 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -67.41 -19.92 65.45 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.17 2.188 . . . . 0.0 114.359 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -119.96 -25.11 5.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.658 1.183 . . . . 0.0 113.493 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.64 151.96 46.01 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.495 0.664 . . . . 0.0 111.692 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -69.12 -12.61 61.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.458 1.503 . . . . 0.0 114.62 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -138.59 -179.95 6.11 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.213 1.805 . . . . 0.0 111.988 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.21 24.63 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -120.09 72.25 17.7 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 126.989 2.116 . . . . 0.0 110.437 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.07 165.07 31.46 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.861 3.041 . . . . 0.0 113.363 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -105.45 176.99 4.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.626 1.17 . . . . 0.0 111.918 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.1 -25.44 63.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.333 1.453 . . . . 0.0 113.967 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m -79.34 -18.46 52.44 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.528 1.531 . . . . 0.0 113.718 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.6 m -79.25 148.99 31.99 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.998 0.817 . . . . 0.0 111.698 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 46.87 0.43 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.829 1.252 . . . . 0.0 113.207 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.42 128.11 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.036 1.334 . . . . 0.0 111.295 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -150.13 132.95 15.99 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 111.283 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.9 t30 45.33 37.92 3.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.903 1.681 . . . . 0.0 115.04 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.45 13.77 83.19 Favored Glycine 0 CA--C 1.537 1.425 0 O-C-N 121.149 -0.97 . . . . 0.0 115.206 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -129.7 160.35 33.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.287 1.835 . . . . 0.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.23 138.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -79.19 129.15 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.37 152.03 30.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.611 0.764 . . . . 0.0 112.438 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.8 106.12 6.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.087 1.355 . . . . 0.0 110.48 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.71 -40.6 84.18 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.374 -0.829 . . . . 0.0 110.808 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.38 -44.5 95.56 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.738 -0.601 . . . . 0.0 111.192 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -66.59 -40.36 88.86 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.13 -0.981 . . . . 0.0 111.827 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.05 -33.11 72.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.196 0.998 . . . . 0.0 111.515 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -75.95 -5.7 47.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.527 1.531 . . . . 0.0 112.409 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.04 10.02 64.99 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.957 2.217 . . . . 0.0 115.918 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -155.65 92.52 1.39 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.041 1.421 . . . . 0.0 112.294 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -52.95 143.77 16.35 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.571 1.149 . . . . 0.0 110.237 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t . . . . . 0 N--CA 1.478 0.955 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -173.332 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 t . . . . . 0 CA--C 1.55 0.969 0 CA-C-O 121.078 0.466 . . . . 0.0 111.203 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -131.71 -3.79 3.69 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.936 1.695 . . . . 0.0 115.332 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -89.95 168.9 11.66 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.497 1.119 . . . . 0.0 110.478 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 tp -84.68 135.11 34.29 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.128 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -101.19 104.8 35.32 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 147.98 13.37 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.461 2.107 . . . . 0.0 113.962 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.02 161.42 44.83 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 109.86 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.0 -40.87 8.9 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.492 3.462 . . . . 0.0 116.699 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -67.49 -46.81 71.84 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.118 1.326 . . . . 0.0 113.124 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.34 -34.0 70.12 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.318 -0.864 . . . . 0.0 110.894 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -61.55 -38.25 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.299 1.44 . . . . 0.0 111.033 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -66.89 -41.75 86.67 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.528 0.731 . . . . 0.0 110.342 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.12 -40.82 97.2 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.477 -0.764 . . . . 0.0 110.477 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -48.67 80.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.569 1.548 . . . . 0.0 110.293 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -57.32 -45.89 83.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.414 1.086 . . . . 0.0 111.745 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.56 -45.24 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.911 0.884 . . . . 0.0 110.754 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -65.11 -32.77 74.64 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.637 -0.664 . . . . 0.0 112.523 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.523 0.591 0 C-N-CA 124.048 0.832 . . . . 0.0 114.125 179.993 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.6 t70 . . . . . 0 CA--C 1.544 0.737 0 N-CA-C 117.005 2.224 . . . . 0.0 117.005 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.23 -17.45 53.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.849 -1.782 . . . . 0.0 114.009 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -27.64 68.4 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.941 -1.099 . . . . 0.0 113.853 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.4 -10.94 59.77 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.578 0.626 . . . . 0.0 111.761 173.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.98 -14.16 14.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.297 1.839 . . . . 0.0 113.462 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -79.9 150.9 30.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.471 1.487 . . . . 0.0 113.879 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -133.93 141.81 47.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.615 1.966 . . . . 0.0 109.722 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -74.51 139.1 43.59 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.093 1.357 . . . . 0.0 114.053 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -84.96 140.06 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.642 1.977 . . . . 0.0 110.543 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.88 131.96 51.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.774 1.273 . . . . 0.0 112.536 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.7 -35.62 77.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.272 1.429 . . . . 0.0 111.413 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.78 -29.49 50.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.25 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -65.97 -43.14 88.74 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.815 -1.178 . . . . 0.0 110.17 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.52 -33.9 76.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.183 0.993 . . . . 0.0 111.61 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -73.3 -17.36 61.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.066 1.347 . . . . 0.0 112.336 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.17 28.18 50.11 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.199 1.381 . . . . 0.0 113.336 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -118.2 -21.61 8.1 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.31 134.46 46.78 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.871 1.214 . . . . 0.0 110.667 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 p -140.12 59.79 1.56 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.714 1.205 . . . . 0.0 112.957 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -148.91 155.36 40.69 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 126.005 1.722 . . . . 0.0 111.679 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.15 158.55 57.32 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.478 2.119 . . . . 0.0 109.986 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.81 -32.44 44.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 113.599 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -67.52 -30.35 69.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.061 1.344 . . . . 0.0 114.343 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -93.56 0.02 56.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.233 1.413 . . . . 0.0 112.223 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -116.67 170.15 8.81 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.463 1.905 . . . . 0.0 111.934 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -99.67 -5.19 29.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.59 1.556 . . . . 0.0 114.81 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.53 -179.89 6.42 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.38 1.872 . . . . 0.0 111.716 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.8 148.15 23.38 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -120.2 71.64 17.31 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 127.403 2.281 . . . . 0.0 112.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -73.67 165.15 33.05 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.669 3.579 . . . . 0.0 114.784 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -96.3 169.69 9.76 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.148 1.379 . . . . 0.0 111.132 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.14 -20.55 58.93 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -91.63 -12.13 35.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 114.052 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -72.92 163.28 28.38 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.43 46.3 0.19 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.375 1.87 . . . . 0.0 112.72 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.37 123.68 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.44 139.84 17.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.151 1.38 . . . . 0.0 111.608 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 44.75 35.64 1.53 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.855 1.662 . . . . 0.0 115.258 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 14.28 82.3 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.022 -1.049 . . . . 0.0 115.11 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.53 166.44 21.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.995 2.118 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.61 139.03 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.83 125.19 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.21 151.15 22.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.538 0.735 . . . . 0.0 112.363 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.2 t -69.86 110.39 4.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CE2' ' HE3' ' A' ' 58' ' ' LYS . 2.7 t80 -51.96 -47.25 64.88 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.641 1.577 . . . . 0.0 110.803 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -63.01 -40.8 98.84 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -69.52 -39.12 77.71 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.918 -1.114 . . . . 0.0 112.037 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.94 -26.17 61.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.219 1.408 . . . . 0.0 112.608 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -97.45 2.03 49.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 112.893 176.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.23 66.03 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.325 1.917 . . . . 0.0 117.694 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -154.33 92.5 1.51 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.497 1.648 . . . . 0.0 112.048 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -53.8 147.88 11.11 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.462 1.505 . . . . 0.0 111.727 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.481 1.115 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -175.719 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 p . . . . . 0 CA--C 1.547 0.857 0 CA-C-O 122.363 1.078 . . . . 0.0 113.213 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -81.95 -5.57 58.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.454 1.902 . . . . 0.0 115.343 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -90.15 169.71 10.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.775 1.23 . . . . 0.0 114.138 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.73 135.22 34.23 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.253 1.421 . . . . 0.0 110.745 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.2 104.77 31.67 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -83.1 159.02 15.45 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.847 2.365 . . . . 0.0 114.47 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -70.79 158.12 56.49 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.751 2.968 . . . . 0.0 110.71 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -44.61 -42.25 14.5 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 124.494 3.463 . . . . 0.0 116.624 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -66.37 -49.13 67.92 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.036 0.835 . . . . 0.0 112.775 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.91 -35.67 78.87 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.545 -0.722 . . . . 0.0 111.486 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -58.66 -46.22 87.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.482 1.113 . . . . 0.0 110.483 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.9 m -64.08 -44.48 92.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.276 0.63 . . . . 0.0 111.209 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -61.37 -38.28 86.44 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.036 0.835 . . . . 0.0 111.552 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.42 -47.3 79.65 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.023 0.929 . . . . 0.0 110.538 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.15 -39.85 87.8 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.33 -43.69 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.003 0.921 . . . . 0.0 110.312 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.34 -39.09 93.59 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.452 -0.78 . . . . 0.0 111.445 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.532 1.148 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 175.401 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 t0 . . . . . 0 CA--C 1.541 0.617 0 CA-C-O 121.103 0.477 . . . . 0.0 111.512 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -53.47 -21.36 6.07 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -62.49 -28.39 69.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.527 1.131 . . . . 0.0 113.654 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -82.36 -13.73 56.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.476 0.58 . . . . 0.0 112.111 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.81 -14.8 15.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 113.532 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 p -79.84 150.25 30.73 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -134.69 138.29 44.29 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.942 2.097 . . . . 0.0 108.622 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.76 148.62 36.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.95 140.01 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 126.55 1.94 . . . . 0.0 110.319 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.77 134.52 56.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.282 1.033 . . . . 0.0 112.215 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.03 -42.09 81.15 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.227 -0.92 . . . . 0.0 111.404 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.75 -30.01 69.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.09 0.556 . . . . 0.0 111.203 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -67.52 -44.39 78.49 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.759 -1.213 . . . . 0.0 110.669 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.24 -35.35 80.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.998 0.919 . . . . 0.0 111.516 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -76.59 -13.14 60.09 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.369 1.468 . . . . 0.0 113.402 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.26 55.68 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.863 1.22 . . . . 0.0 113.974 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -122.4 -18.16 6.83 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.29 133.85 55.69 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.02 1.282 . . . . 0.0 110.299 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -135.81 59.88 1.7 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.306 1.043 . . . . 0.0 113.222 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -158.99 155.86 25.34 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 126.749 2.019 . . . . 0.0 110.435 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.58 156.48 65.4 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.272 1.982 . . . . 0.0 112.888 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.02 -32.58 34.8 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.834 1.654 . . . . 0.0 113.379 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -70.49 -30.33 67.08 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.264 1.425 . . . . 0.0 113.275 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.3 -31.71 16.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.058 0.943 . . . . 0.0 112.483 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.86 156.92 38.33 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.263 1.03 . . . . 0.0 113.361 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -77.33 -11.51 59.84 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.013 1.725 . . . . 0.0 113.886 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -139.22 -179.91 6.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.388 1.875 . . . . 0.0 111.763 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 147.19 23.92 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -120.09 71.89 17.16 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 127.376 2.27 . . . . 0.0 110.615 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.96 165.14 33.61 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.525 3.484 . . . . 0.0 114.613 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 m -98.27 162.78 13.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.495 1.518 . . . . 0.0 110.037 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -55.72 -24.11 32.86 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -83.28 -14.96 51.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.315 1.446 . . . . 0.0 114.178 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.79 165.36 25.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.103 0.865 . . . . 0.0 112.537 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.81 44.28 0.22 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.55 1.54 . . . . 0.0 112.923 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -67.21 125.36 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.247 . . . . 0.0 110.052 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -150.94 129.96 12.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.613 1.165 . . . . 0.0 111.241 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 39.95 34.57 0.19 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.2 10.09 57.53 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -139.31 168.1 20.59 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.635 1.718 . . . . 0.0 112.539 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.42 142.6 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.731 1.212 . . . . 0.0 107.988 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.3 mt -77.81 125.77 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.73 152.0 24.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.805 0.842 . . . . 0.0 112.636 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.3 t -70.42 112.9 7.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.287 1.435 . . . . 0.0 111.135 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.22 -38.84 66.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.112 1.765 . . . . 0.0 111.018 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.32 -32.38 62.82 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.714 -0.616 . . . . 0.0 112.601 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -68.94 -38.77 79.69 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.862 -1.149 . . . . 0.0 110.375 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -23.12 48.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.456 1.903 . . . . 0.0 111.947 173.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -104.99 2.83 30.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.701 2.001 . . . . 0.0 113.678 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.56 7.75 75.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 118.28 2.072 . . . . 0.0 118.28 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -154.81 90.0 1.27 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.957 1.879 . . . . 0.0 112.368 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.1 t -51.17 134.03 27.52 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.931 1.292 . . . . 0.0 110.801 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m . . . . . 0 N--CA 1.477 0.877 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.14 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.1 t . . . . . 0 CA--C 1.546 0.824 0 CA-C-O 121.893 0.854 . . . . 0.0 112.451 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -134.1 -6.76 2.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.288 2.235 . . . . 0.0 114.083 -172.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -96.59 170.13 9.41 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.599 1.96 . . . . 0.0 112.583 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.53 135.1 34.36 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.766 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -99.23 104.85 28.89 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.86 158.58 15.93 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.665 2.243 . . . . 0.0 113.96 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.88 160.73 45.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.479 2.786 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -43.73 -41.14 11.44 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.531 3.487 . . . . 0.0 116.508 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -67.5 -49.71 62.21 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.186 0.903 . . . . 0.0 113.022 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -35.56 77.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.085 0.857 . . . . 0.0 111.344 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.55 -47.04 83.11 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.042 1.337 . . . . 0.0 110.392 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -63.61 -43.16 97.69 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.259 0.623 . . . . 0.0 111.06 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -62.53 -35.87 80.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.914 0.779 . . . . 0.0 111.659 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.41 -48.6 77.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.17 0.988 . . . . 0.0 110.211 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.16 -40.33 89.52 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.714 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.72 -48.91 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.503 0.721 . . . . 0.0 110.001 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -59.36 -43.57 92.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.886 0 C-N-CA 123.791 0.71 . . . . 0.0 112.05 178.649 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 . . . . . 0 CA--C 1.544 0.723 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 p -68.77 -15.17 63.43 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 119.914 -1.741 . . . . 0.0 113.476 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.52 -30.45 70.64 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.501 1.121 . . . . 0.0 113.372 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.95 -21.91 43.25 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.726 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.9 mt -91.09 -18.14 25.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.414 1.485 . . . . 0.0 113.343 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -79.81 149.2 31.12 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.606 1.548 . . . . 0.0 114.801 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -134.03 142.86 47.76 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.994 2.118 . . . . 0.0 109.441 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.83 141.74 40.54 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.513 1.125 . . . . 0.0 113.859 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.41 140.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.387 1.875 . . . . 0.0 109.971 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.86 133.42 56.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.064 0.945 . . . . 0.0 112.399 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -64.4 -43.71 93.58 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.95 0.9 . . . . 0.0 111.413 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.38 -31.66 70.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.695 0.798 . . . . 0.0 111.705 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.65 -42.9 95.12 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.874 -1.141 . . . . 0.0 110.882 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.3 -16.17 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.906 1.282 . . . . 0.0 113.267 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -109.2 0.09 19.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.516 1.926 . . . . 0.0 112.962 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 28.72 72.22 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.804 1.193 . . . . 0.0 114.563 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -117.93 -11.96 10.2 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.44 146.1 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.771 1.169 . . . . 0.0 111.089 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.12 59.74 1.56 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.243 1.017 . . . . 0.0 112.413 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -151.48 148.35 22.01 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.788 2.035 . . . . 0.0 110.309 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -72.22 157.34 53.98 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.219 1.946 . . . . 0.0 110.116 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.77 -32.73 32.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 112.318 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -65.54 -23.38 66.85 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.372 2.269 . . . . 0.0 114.828 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -117.47 -25.36 7.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.369 1.067 . . . . 0.0 113.349 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.58 153.78 42.95 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.773 0.797 . . . . 0.0 112.082 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -74.87 -7.54 53.8 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 114.566 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -139.19 -179.94 6.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.527 1.931 . . . . 0.0 111.531 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 144.83 25.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -120.2 70.92 16.2 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.991 2.117 . . . . 0.0 111.413 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.69 165.22 32.85 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.237 3.291 . . . . 0.0 114.537 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -98.95 161.39 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.448 1.499 . . . . 0.0 109.484 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -55.64 -26.06 42.35 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -79.16 -15.97 57.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.475 1.51 . . . . 0.0 114.328 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -76.78 163.28 26.95 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.326 0.966 . . . . 0.0 112.801 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -74.37 51.16 0.43 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.008 1.723 . . . . 0.0 112.746 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 t -74.53 128.52 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.971 1.308 . . . . 0.0 109.605 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -153.12 135.63 15.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.979 1.312 . . . . 0.0 111.201 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.2 t30 44.9 37.75 2.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.767 1.627 . . . . 0.0 114.999 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.32 14.0 82.09 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 115.261 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.26 166.83 20.32 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.727 2.011 . . . . 0.0 110.608 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.54 139.41 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.657 1.183 . . . . 0.0 108.097 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.8 mt -75.39 127.65 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 152.11 25.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.06 0.944 . . . . 0.0 112.496 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.35 109.26 4.63 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.925 1.29 . . . . 0.0 110.888 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.73 -42.45 93.16 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.834 0.854 . . . . 0.0 110.682 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.64 -42.63 97.35 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.701 -0.624 . . . . 0.0 111.539 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -66.24 -40.51 90.3 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.231 -0.918 . . . . 0.0 111.716 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.74 -32.99 72.25 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.221 1.008 . . . . 0.0 112.177 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.59 1.86 40.1 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.929 1.291 . . . . 0.0 112.642 174.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 8.6 66.66 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 126.539 2.019 . . . . 0.0 117.819 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -154.24 92.74 1.54 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.616 1.708 . . . . 0.0 112.081 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.17 136.47 42.46 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.265 1.026 . . . . 0.0 109.241 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m . . . . . 0 N--CA 1.477 0.887 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -173.538 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 t . . . . . 0 CA--C 1.546 0.791 0 CA-C-O 122.346 1.07 . . . . 0.0 110.132 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -100.34 6.23 44.52 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.212 2.205 . . . . 0.0 114.509 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -104.58 168.92 8.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.304 1.442 . . . . 0.0 112.529 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -84.81 135.21 34.2 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.053 0.941 . . . . 0.0 111.143 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -103.53 104.61 42.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.55 159.14 7.91 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.1 2.533 . . . . 0.0 112.95 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.63 160.28 44.33 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.429 2.753 . . . . 0.0 111.967 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.43 -43.79 17.17 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.293 3.329 . . . . 0.0 115.849 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -61.74 -31.64 71.83 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.2 mt -86.01 -31.44 22.01 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.997 0.919 . . . . 0.0 111.389 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -57.41 -40.34 78.08 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.407 1.003 . . . . 0.0 110.713 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -59.93 -41.59 92.11 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.222 0.464 . . . . 0.0 111.809 175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -66.41 -38.91 88.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.305 -0.872 . . . . 0.0 110.825 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.49 89.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 110.142 176.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.72 -39.36 93.8 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.668 -0.645 . . . . 0.0 111.89 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.69 -47.18 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.407 -0.808 . . . . 0.0 109.68 175.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.33 85.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.38 0.672 . . . . 0.0 112.188 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.528 0.879 0 C-N-CA 123.515 0.578 . . . . 0.0 112.913 -179.149 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 . . . . . 0 CA--C 1.547 0.829 0 N-CA-C 116.858 2.17 . . . . 0.0 116.858 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -61.02 -18.58 58.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.741 -1.849 . . . . 0.0 114.346 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -65.99 -26.58 67.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -77.32 -24.97 50.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.217 0.462 . . . . 0.0 111.167 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.81 -18.09 31.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.345 1.458 . . . . 0.0 113.074 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.8 149.9 30.9 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 121.106 1.776 . . . . 0.0 114.608 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.93 140.66 49.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.98 2.112 . . . . 0.0 108.823 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.33 147.75 41.95 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.54 140.01 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.967 1.707 . . . . 0.0 109.703 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.4 t -59.2 132.68 54.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.24 1.016 . . . . 0.0 112.499 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.18 -38.79 91.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.238 1.015 . . . . 0.0 112.104 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.84 -31.05 61.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.498 0.719 . . . . 0.0 111.913 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.73 -42.5 97.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.858 -1.151 . . . . 0.0 110.812 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -61.72 -16.15 46.77 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.841 1.656 . . . . 0.0 113.485 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -115.23 0.05 13.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.391 1.877 . . . . 0.0 113.431 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.64 69.98 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.916 1.246 . . . . 0.0 114.665 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -118.08 -7.68 10.79 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.0 t -71.02 150.04 46.0 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.332 0.969 . . . . 0.0 111.416 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -139.77 59.84 1.58 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.652 1.181 . . . . 0.0 112.653 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -154.91 149.09 19.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 126.742 2.017 . . . . 0.0 110.59 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.85 159.67 47.76 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.146 1.897 . . . . 0.0 109.459 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.09 -33.69 27.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.985 0.914 . . . . 0.0 112.272 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -62.76 -26.07 68.52 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.602 2.361 . . . . 0.0 114.759 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -120.07 -15.58 8.72 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -75.26 158.87 32.24 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 119.111 0.869 . . . . 0.0 111.702 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.78 -16.23 61.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 113.408 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -135.71 -179.93 5.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.349 1.859 . . . . 0.0 111.983 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.5 24.42 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -120.21 70.3 15.58 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.135 2.174 . . . . 0.0 111.121 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.7 165.18 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 124.14 3.227 . . . . 0.0 114.477 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -99.77 165.3 11.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.256 1.423 . . . . 0.0 110.34 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.66 -27.21 48.74 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.126 1.37 . . . . 0.0 114.62 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.7 m -85.78 -8.77 57.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.883 1.273 . . . . 0.0 114.339 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.97 163.6 25.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.423 1.01 . . . . 0.0 112.561 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -72.64 45.22 0.14 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.947 2.099 . . . . 0.0 113.576 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.45 121.23 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.836 1.254 . . . . 0.0 109.964 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -152.39 134.7 15.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.574 1.15 . . . . 0.0 110.979 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.53 36.23 3.44 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.633 1.573 . . . . 0.0 114.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 13.76 82.88 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.064 -1.022 . . . . 0.0 115.136 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -130.64 167.44 18.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.769 2.027 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.21 135.98 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.241 1.416 . . . . 0.0 107.658 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.78 129.72 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 151.3 32.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.509 0.723 . . . . 0.0 112.275 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.8 t -75.99 106.21 7.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.101 1.36 . . . . 0.0 109.3 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.75 -37.28 70.83 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.007 -1.058 . . . . 0.0 111.507 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.2 -33.49 76.13 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.344 -0.848 . . . . 0.0 111.421 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -70.07 -39.33 75.68 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.934 -1.104 . . . . 0.0 110.676 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.37 -33.14 72.03 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.163 0.892 . . . . 0.0 111.079 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.43 -10.04 59.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.466 1.506 . . . . 0.0 112.512 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 10.27 64.6 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 116.051 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -154.95 91.74 1.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.0 1.4 . . . . 0.0 111.755 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.6 t -55.85 137.23 50.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.736 1.214 . . . . 0.0 110.787 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.7 p . . . . . 0 N--CA 1.478 0.968 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -177.949 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.0 t . . . . . 0 CA--C 1.546 0.803 0 CA-C-O 121.967 0.889 . . . . 0.0 111.759 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -134.02 3.28 3.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.325 2.25 . . . . 0.0 114.782 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -94.18 169.97 9.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.343 1.457 . . . . 0.0 112.011 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 tp -84.73 135.06 34.3 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.071 -1.018 . . . . 0.0 111.429 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -99.5 104.81 29.61 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 173.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.33 146.1 13.79 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.206 1.937 . . . . 0.0 113.578 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.13 161.98 43.97 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.361 2.707 . . . . 0.0 109.808 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.15 -42.34 9.79 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 124.235 3.29 . . . . 0.0 116.877 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -66.36 -45.23 80.83 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.472 1.033 . . . . 0.0 112.971 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.14 -33.87 68.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.384 -0.823 . . . . 0.0 111.26 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.13 -39.76 91.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.737 1.215 . . . . 0.0 110.612 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -66.84 -42.65 85.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.788 0.835 . . . . 0.0 110.483 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.23 -36.69 82.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.393 -0.817 . . . . 0.0 111.156 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.02 77.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.43 1.092 . . . . 0.0 109.868 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.87 -42.79 85.3 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.264 0.626 . . . . 0.0 111.959 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.05 -47.64 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.36 -41.37 98.55 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.787 0.721 . . . . 0.0 111.568 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.622 0 C-N-CA 124.251 0.929 . . . . 0.0 110.875 176.626 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.1 t0 . . . . . 0 N--CA 1.471 0.622 0 CA-C-O 121.907 0.86 . . . . 0.0 113.171 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 p -64.23 -17.9 64.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -30.42 67.02 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.147 1.34 . . . . 0.0 113.907 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -80.41 -15.39 56.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.49 -15.16 15.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.942 1.697 . . . . 0.0 113.499 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.94 151.09 30.27 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.014 1.279 . . . . 0.0 113.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 150.74 52.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.871 2.068 . . . . 0.0 108.837 172.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -87.82 139.19 30.78 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.73 139.98 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.488 1.515 . . . . 0.0 109.759 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -56.57 130.42 45.05 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.934 0.894 . . . . 0.0 111.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH2' HE22 ' A' ' 23' ' ' GLN . 16.8 mmm180 -65.11 -33.35 75.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.941 0.896 . . . . 0.0 112.063 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.09 -32.21 39.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 112.396 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.56 -39.35 93.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.25 -0.906 . . . . 0.0 111.488 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . 0.483 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.3 mt-30 -60.26 -16.02 30.2 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.909 1.684 . . . . 0.0 113.542 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -116.9 0.08 12.37 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.648 1.979 . . . . 0.0 112.885 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.79 14.77 79.76 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.464 1.507 . . . . 0.0 114.493 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -86.95 -28.27 22.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.752 1.221 . . . . 0.0 113.164 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.31 141.01 57.31 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.927 0.891 . . . . 0.0 111.956 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 p -140.02 59.83 1.57 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.449 1.5 . . . . 0.0 111.991 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -151.59 142.73 15.45 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 126.606 1.962 . . . . 0.0 109.967 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.16 154.62 69.81 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.115 1.877 . . . . 0.0 112.069 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -51.19 -33.59 28.03 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.943 1.297 . . . . 0.0 112.732 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -64.27 -23.38 67.28 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.314 2.246 . . . . 0.0 114.694 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.94 -21.6 7.07 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.45 156.15 39.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.992 0.901 . . . . 0.0 112.052 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.31 -22.0 63.82 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.877 1.671 . . . . 0.0 113.228 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.22 -179.87 5.69 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.38 1.872 . . . . 0.0 112.529 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.74 145.39 25.23 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -174.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -120.18 73.37 19.94 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.031 2.132 . . . . 0.0 110.819 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.14 165.15 32.38 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.426 3.417 . . . . 0.0 114.554 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p -100.41 171.66 7.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.731 1.612 . . . . 0.0 111.543 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -21.03 58.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 m -91.66 -16.32 27.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.391 1.476 . . . . 0.0 113.606 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.9 152.95 44.63 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.637 -0.664 . . . . 0.0 112.058 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -78.08 52.51 1.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.762 1.225 . . . . 0.0 112.43 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.88 131.2 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.21 1.404 . . . . 0.0 110.71 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.87 135.88 14.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.832 1.253 . . . . 0.0 110.873 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.07 38.24 3.01 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 126.113 1.765 . . . . 0.0 114.466 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.18 12.5 84.29 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 120.989 -1.07 . . . . 0.0 115.296 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -126.22 162.18 26.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.029 2.132 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.59 139.88 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -74.39 130.03 36.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.58 149.1 21.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.002 0.921 . . . . 0.0 111.677 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.36 108.95 2.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.67 1.188 . . . . 0.0 112.268 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 25.9 t80 -57.7 -42.64 84.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.95 1.3 . . . . 0.0 111.211 178.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.14 -45.45 93.38 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.686 0.394 . . . . 0.0 111.301 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -39.88 89.98 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.096 -1.003 . . . . 0.0 112.312 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.25 -31.17 67.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.249 . . . . 0.0 112.482 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -92.14 9.24 34.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.07 1.348 . . . . 0.0 113.265 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 4.33 72.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 117.811 1.885 . . . . 0.0 117.811 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -152.02 93.03 1.78 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.535 1.667 . . . . 0.0 111.608 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.44 129.19 40.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 109.87 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p . . . . . 0 N--CA 1.472 0.664 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -177.28 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.5 t . . . . . 0 CA--C 1.546 0.796 0 CA-C-O 122.136 0.97 . . . . 0.0 110.66 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -134.03 14.52 3.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.749 2.42 . . . . 0.0 113.066 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.88 170.24 8.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.058 2.143 . . . . 0.0 111.937 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -84.6 135.11 34.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.795 0.838 . . . . 0.0 110.79 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -104.57 104.65 46.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -89.48 161.22 5.44 Favored 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 123.174 2.583 . . . . 0.0 112.879 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.47 162.2 42.11 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.732 2.954 . . . . 0.0 112.024 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -44.2 -41.92 13.12 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.8 3.666 . . . . 0.0 116.837 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -64.36 -39.42 93.84 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.184 -0.947 . . . . 0.0 112.548 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 mt -77.3 -32.31 55.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.257 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.59 -43.18 93.78 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.902 1.228 . . . . 0.0 109.692 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.4 m -62.17 -44.5 96.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.494 0.718 . . . . 0.0 110.899 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.29 -37.82 84.55 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.505 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.52 -45.42 79.58 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.273 1.029 . . . . 0.0 110.337 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.69 -35.68 78.7 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.675 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.33 -47.06 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -56.91 -47.76 79.81 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.345 1.058 . . . . 0.0 110.706 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.941 0 C-N-CA 124.177 0.894 . . . . 0.0 113.917 178.05 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.5 t0 . . . . . 0 CA--C 1.541 0.604 0 CA-C-O 120.94 0.4 . . . . 0.0 111.234 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 p -68.38 -21.84 64.68 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.111 -1.618 . . . . 0.0 113.352 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.4 -32.78 67.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.877 1.271 . . . . 0.0 114.285 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -82.39 -21.48 35.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.87 -14.33 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.774 1.629 . . . . 0.0 112.644 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.81 147.8 31.66 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.864 1.666 . . . . 0.0 114.722 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.25 140.28 43.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.184 2.194 . . . . 0.0 109.035 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 146.54 47.78 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.6 140.01 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.031 1.732 . . . . 0.0 110.23 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -62.19 126.58 27.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.423 1.089 . . . . 0.0 111.865 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -61.87 -39.89 93.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.473 -0.767 . . . . 0.0 111.844 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.39 -26.57 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.42 0.688 . . . . 0.0 111.788 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -70.68 -42.71 70.35 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.859 -1.151 . . . . 0.0 110.159 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.68 -38.32 90.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.753 0.821 . . . . 0.0 111.068 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -70.02 -20.46 63.26 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.92 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.0 31.58 38.75 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.111 1.339 . . . . 0.0 113.571 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.5 p -124.26 -18.24 5.89 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.96 140.51 58.32 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.861 1.21 . . . . 0.0 111.218 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -137.55 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.772 1.229 . . . . 0.0 111.989 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -149.85 150.36 30.12 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 126.873 2.069 . . . . 0.0 110.226 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.31 155.9 50.99 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.133 1.889 . . . . 0.0 110.552 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.67 -32.92 44.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.987 0.915 . . . . 0.0 111.91 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.339 2.256 . . . . 0.0 114.811 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.04 -20.23 7.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -71.87 153.2 42.04 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 118.856 0.753 . . . . 0.0 111.627 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -72.2 -10.44 59.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.235 1.414 . . . . 0.0 114.763 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -138.45 -179.88 6.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.489 1.916 . . . . 0.0 111.412 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.9 24.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -120.07 78.29 24.82 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 127.124 2.17 . . . . 0.0 109.853 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.7 165.12 24.2 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.992 3.128 . . . . 0.0 115.095 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -105.43 175.65 5.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.358 1.863 . . . . 0.0 111.349 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.84 -20.52 65.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -91.56 -17.99 24.77 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.215 1.406 . . . . 0.0 113.252 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -65.8 137.77 57.46 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.017 0.826 . . . . 0.0 111.399 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -81.48 55.57 2.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.147 0.979 . . . . 0.0 111.573 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -63.22 134.06 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.085 1.754 . . . . 0.0 111.372 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 146.32 22.96 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.609 1.164 . . . . 0.0 111.993 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 46.88 32.35 1.79 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.912 1.685 . . . . 0.0 114.619 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 14.53 82.05 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 120.76 -1.213 . . . . 0.0 114.988 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -129.84 164.51 23.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.692 1.997 . . . . 0.0 111.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.26 139.18 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.64 126.23 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.59 149.06 33.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.103 0.961 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.9 t -70.37 111.98 6.34 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.631 1.572 . . . . 0.0 111.176 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -58.59 -39.52 80.59 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.948 1.299 . . . . 0.0 111.314 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.57 -29.91 65.26 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.305 -0.872 . . . . 0.0 112.249 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.8 t -68.6 -41.84 79.03 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.299 -0.876 . . . . 0.0 109.78 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.46 -33.04 74.04 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.457 1.103 . . . . 0.0 111.339 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.72 -10.04 59.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.297 1.439 . . . . 0.0 112.133 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.75 6.57 69.86 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.636 2.065 . . . . 0.0 116.347 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -154.88 92.14 1.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.176 1.488 . . . . 0.0 111.456 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 t -54.31 133.2 44.99 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.672 1.189 . . . . 0.0 110.873 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p . . . . . 0 N--CA 1.477 0.913 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -173.939 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.7 t . . . . . 0 CA--C 1.544 0.749 0 CA-C-O 122.362 1.077 . . . . 0.0 109.877 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -132.13 19.57 4.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.809 2.444 . . . . 0.0 113.614 -172.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.6 168.17 10.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.694 1.997 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.72 135.14 34.26 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 111.135 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -96.83 104.72 19.48 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.42 143.24 13.64 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 113.235 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -73.38 161.96 41.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.478 2.785 . . . . 0.0 110.762 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.41 -43.28 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.425 3.416 . . . . 0.0 116.388 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -64.05 -32.62 74.24 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.225 0.921 . . . . 0.0 113.446 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.67 -27.56 27.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.473 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -57.65 -39.56 77.29 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.922 1.237 . . . . 0.0 110.516 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.2 m -60.55 -44.72 95.81 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.041 0.536 . . . . 0.0 111.39 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.9 -37.33 86.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.583 -0.698 . . . . 0.0 111.085 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -44.35 93.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.618 1.167 . . . . 0.0 110.685 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.67 -41.27 98.98 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.05 -1.031 . . . . 0.0 111.669 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.957 0.903 . . . . 0.0 109.792 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.55 -41.15 89.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.717 0.807 . . . . 0.0 110.452 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.59 0 C-N-CA 125.729 1.633 . . . . 0.0 112.239 176.086 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 t0 . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -56.87 -21.14 27.11 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.836 -1.79 . . . . 0.0 114.81 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.03 -29.13 67.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 113.464 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -87.21 -28.75 22.19 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.192 0.451 . . . . 0.0 111.922 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.38 -18.14 57.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.611 1.164 . . . . 0.0 112.698 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.72 150.32 30.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.76 136.16 47.36 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.108 2.163 . . . . 0.0 108.814 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.53 149.5 40.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.52 138.23 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.071 1.748 . . . . 0.0 109.98 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.4 t -59.76 123.58 17.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.066 0.946 . . . . 0.0 111.003 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -64.31 -38.81 92.37 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.427 -0.796 . . . . 0.0 111.995 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.79 -27.23 64.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.399 0.679 . . . . 0.0 112.242 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -68.82 -44.9 72.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.394 0.997 . . . . 0.0 109.986 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -64.75 -34.87 79.35 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 111.706 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -75.07 -14.13 60.56 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 0.0 113.268 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 35.22 28.19 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.869 1.224 . . . . 0.0 113.583 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -124.56 -29.39 3.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.452 1.501 . . . . 0.0 113.964 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 139.75 58.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.474 1.034 . . . . 0.0 111.684 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.7 m -138.21 59.85 1.63 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.305 1.442 . . . . 0.0 111.566 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -145.88 147.65 33.13 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.821 2.048 . . . . 0.0 110.088 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -73.0 154.63 52.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 121.921 1.747 . . . . 0.0 109.993 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.09 -34.85 45.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.921 0.888 . . . . 0.0 111.997 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -60.25 -24.98 65.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.666 2.387 . . . . 0.0 114.598 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.11 -18.54 8.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.15 145.46 35.65 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.244 0.929 . . . . 0.0 111.144 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.01 -14.57 49.57 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.5 -179.96 5.91 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.26 1.824 . . . . 0.0 111.894 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.36 24.48 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -120.14 66.41 11.47 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.251 2.221 . . . . 0.0 110.752 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.09 165.08 33.71 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.908 3.072 . . . . 0.0 114.041 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -103.39 165.11 11.23 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.659 1.584 . . . . 0.0 109.85 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.67 -24.21 32.7 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -73.63 -20.07 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.386 1.475 . . . . 0.0 113.955 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.77 161.97 24.29 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.015 0.825 . . . . 0.0 112.597 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -73.42 46.52 0.2 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.377 1.871 . . . . 0.0 112.848 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.54 128.17 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.909 1.283 . . . . 0.0 110.384 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.93 139.8 17.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.823 1.249 . . . . 0.0 110.737 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 41.3 35.91 0.46 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.46 14.17 71.63 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -143.37 166.32 25.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.796 1.638 . . . . 0.0 112.432 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.99 139.75 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.733 1.213 . . . . 0.0 108.027 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.67 126.74 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.82 148.81 28.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.487 0.715 . . . . 0.0 111.641 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.6 t -69.39 112.98 6.3 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.708 1.203 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.8 -39.96 86.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.401 1.08 . . . . 0.0 111.461 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -67.9 -35.91 79.3 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.584 -0.698 . . . . 0.0 111.552 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -67.91 -40.28 83.42 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.24 -0.912 . . . . 0.0 111.073 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.37 -32.43 71.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.225 1.01 . . . . 0.0 111.685 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -80.65 -4.45 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.3 1.44 . . . . 0.0 112.852 174.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.74 67.88 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 126.424 1.964 . . . . 0.0 116.695 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -153.23 91.91 1.56 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.3 1.55 . . . . 0.0 111.32 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.36 132.05 51.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.263 1.025 . . . . 0.0 110.454 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.3 m . . . . . 0 N--CA 1.478 0.958 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -175.677 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.9 t . . . . . 0 CA--C 1.546 0.818 0 CA-C-O 121.553 0.692 . . . . 0.0 111.245 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -133.98 5.13 3.58 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.956 2.102 . . . . 0.0 114.11 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -96.38 169.64 9.78 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.808 1.643 . . . . 0.0 111.515 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.71 135.04 34.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.96 -1.087 . . . . 0.0 111.509 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -99.05 104.82 28.14 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.48 142.22 10.39 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.544 2.163 . . . . 0.0 114.707 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.04 162.58 41.66 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 124.414 3.41 . . . . 0.0 110.61 173.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.05 -45.43 9.34 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.6 3.533 . . . . 0.0 117.335 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -66.41 -38.46 87.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.756 1.162 . . . . 0.0 112.565 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.27 -27.98 63.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.558 -0.714 . . . . 0.0 111.313 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.93 -39.4 91.93 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.938 1.245 . . . . 0.0 110.176 172.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.2 m -64.91 -43.8 91.64 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.717 -0.615 . . . . 0.0 110.691 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -60.51 -39.37 87.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.608 -0.682 . . . . 0.0 110.898 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.59 -47.83 79.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.428 1.091 . . . . 0.0 110.302 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.01 -39.72 86.78 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.131 0.878 . . . . 0.0 112.926 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.86 -46.44 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.784 0.834 . . . . 0.0 109.667 176.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -61.69 -42.31 98.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.352 0.661 . . . . 0.0 110.846 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.334 0.444 0 C-N-CA 125.9 1.714 . . . . 0.0 112.667 179.311 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t0 . . . . . 0 CA--C 1.543 0.7 0 CA-C-O 121.705 0.764 . . . . 0.0 112.854 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -59.57 -16.41 25.15 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -51.32 -32.02 23.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.6 1.56 . . . . 0.0 113.537 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -87.84 -26.18 22.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.45 -13.96 44.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.605 1.162 . . . . 0.0 112.586 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.82 152.71 29.58 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -139.06 146.28 40.59 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.181 2.592 . . . . 0.0 109.28 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.62 140.76 33.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.0 t -87.61 140.03 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.205 1.802 . . . . 0.0 110.287 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -58.5 134.68 56.91 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.069 0.948 . . . . 0.0 112.351 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -64.8 -45.69 85.18 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.336 -0.852 . . . . 0.0 111.021 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -68.01 -26.08 65.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.485 0.714 . . . . 0.0 112.202 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.92 -44.42 69.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.138 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.13 -34.98 79.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.169 0.988 . . . . 0.0 111.317 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.51 -19.49 63.72 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.832 1.653 . . . . 0.0 112.796 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.99 28.8 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 112.359 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -122.76 -34.96 3.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.847 1.659 . . . . 0.0 113.642 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -64.25 135.0 55.84 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.217 0.917 . . . . 0.0 111.156 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 m -139.84 59.72 1.58 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.72 1.208 . . . . 0.0 112.251 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -148.63 153.83 40.16 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.959 2.103 . . . . 0.0 110.036 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.84 152.1 63.43 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.779 1.653 . . . . 0.0 110.43 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.53 -25.16 36.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -66.37 -30.08 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.268 1.427 . . . . 0.0 112.246 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.29 -31.92 11.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.959 1.304 . . . . 0.0 112.703 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.27 170.04 14.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.775 0.83 . . . . 0.0 111.58 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.61 -11.96 49.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.259 1.424 . . . . 0.0 113.838 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.13 -179.81 6.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 112.344 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.72 145.14 25.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.639 0.776 . . . . 0.0 112.986 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.13 74.07 20.65 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.706 2.002 . . . . 0.0 111.434 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.44 165.09 33.7 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.13 3.22 . . . . 0.0 114.104 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -94.48 160.53 14.61 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.996 1.318 . . . . 0.0 109.53 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -57.69 -22.77 48.03 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.379 1.071 . . . . 0.0 113.711 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -78.94 -23.84 44.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.007 2.123 . . . . 0.0 114.376 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.03 160.21 32.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.965 0.906 . . . . 0.0 112.958 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -75.52 54.72 0.77 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.168 1.387 . . . . 0.0 112.59 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.26 130.79 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.92 1.288 . . . . 0.0 109.488 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.05 134.75 17.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.545 1.138 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 40.78 32.01 0.14 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.023 2.529 . . . . 0.0 117.378 179.202 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 13.97 58.29 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.576 1.084 . . . . 0.0 114.529 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -130.16 162.51 28.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.918 2.087 . . . . 0.0 110.805 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.72 138.82 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.547 1.139 . . . . 0.0 108.083 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.04 126.97 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 151.99 29.72 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.783 0.833 . . . . 0.0 112.728 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.8 106.05 4.6 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.617 1.567 . . . . 0.0 109.881 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.41 -37.23 67.35 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.608 1.163 . . . . 0.0 111.538 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.47 -31.15 70.24 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.575 -0.703 . . . . 0.0 111.984 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.7 t -69.36 -37.69 77.74 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.176 -0.952 . . . . 0.0 110.539 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.22 -33.08 72.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.285 -0.885 . . . . 0.0 111.112 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.45 -3.04 48.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.779 1.232 . . . . 0.0 113.235 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.76 82.66 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.709 1.623 . . . . 0.0 116.222 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -153.43 89.11 1.32 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.185 1.492 . . . . 0.0 111.838 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.4 t -51.4 126.16 16.33 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.174 1.39 . . . . 0.0 110.771 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m . . . . . 0 N--CA 1.478 0.931 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 -175.23 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.1 t . . . . . 0 CA--C 1.547 0.832 0 CA-C-O 121.876 0.846 . . . . 0.0 111.749 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -134.2 35.53 3.25 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.024 2.13 . . . . 0.0 112.119 177.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -117.36 168.22 10.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.198 2.199 . . . . 0.0 110.69 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.76 135.07 34.28 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.885 -1.135 . . . . 0.0 112.315 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -96.23 104.96 19.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.176 1.39 . . . . 0.0 107.465 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.39 135.07 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.06 1.84 . . . . 0.0 115.211 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.36 163.37 39.01 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.652 2.902 . . . . 0.0 109.672 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -42.96 -43.48 9.35 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.403 3.402 . . . . 0.0 117.556 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -67.9 -44.84 76.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.503 1.047 . . . . 0.0 112.843 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 mt -71.74 -32.79 68.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.362 -0.836 . . . . 0.0 111.319 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.9 -38.55 86.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.955 1.302 . . . . 0.0 110.436 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 m -67.87 -43.84 78.49 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.123 0.569 . . . . 0.0 110.27 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -35.5 77.34 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.2 -0.937 . . . . 0.0 111.144 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.91 -50.47 66.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.132 1.373 . . . . 0.0 110.25 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.31 -32.39 73.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.88 1.218 . . . . 0.0 112.897 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.29 -47.95 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.352 0.661 . . . . 0.0 109.553 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.25 -43.81 92.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.003 0.921 . . . . 0.0 110.508 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.337 0.617 0 C-N-CA 125.773 1.654 . . . . 0.0 112.137 176.32 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t0 . . . . . 0 CA--C 1.543 0.686 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 p -63.05 -14.17 44.86 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.883 -1.761 . . . . 0.0 114.653 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.85 -29.91 69.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.12 0.968 . . . . 0.0 113.037 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -78.62 -16.6 57.18 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.76 -0.587 . . . . 0.0 112.21 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.48 -16.58 19.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 0.0 113.376 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.84 146.31 32.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.605 1.548 . . . . 0.0 114.069 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -133.49 138.06 45.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.541 1.936 . . . . 0.0 109.339 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -76.56 142.52 40.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.605 1.162 . . . . 0.0 113.806 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.29 140.0 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.079 2.151 . . . . 0.0 110.506 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.45 136.46 56.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.218 1.007 . . . . 0.0 112.298 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -63.71 -51.91 62.91 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.063 0.945 . . . . 0.0 110.864 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -28.84 70.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.858 0.863 . . . . 0.0 112.454 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -66.22 -41.38 90.19 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.969 -1.082 . . . . 0.0 110.539 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.05 -32.4 72.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.06 0.944 . . . . 0.0 111.703 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -78.79 -11.84 60.0 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.969 0.908 . . . . 0.0 112.974 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.25 29.78 52.39 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.972 1.272 . . . . 0.0 114.01 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.1 p -121.86 -18.71 6.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.19 135.77 56.6 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.942 1.247 . . . . 0.0 110.204 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -136.74 59.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.304 1.041 . . . . 0.0 113.292 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -159.86 154.89 21.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 126.286 1.835 . . . . 0.0 111.145 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.04 155.18 69.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.192 1.928 . . . . 0.0 110.876 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -54.05 -31.86 52.79 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -64.56 -26.17 68.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.973 1.309 . . . . 0.0 112.897 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.72 -20.38 15.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.4 1.48 . . . . 0.0 112.248 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.73 170.07 15.49 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.993 1.317 . . . . 0.0 112.391 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -92.43 -8.03 45.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.183 1.793 . . . . 0.0 114.472 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -142.39 -179.92 6.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.818 2.047 . . . . 0.0 111.632 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.64 148.44 23.32 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -120.2 78.26 25.81 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 126.557 1.943 . . . . 0.0 111.014 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.58 165.17 30.22 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.362 3.375 . . . . 0.0 114.754 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -105.38 169.26 8.56 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.161 1.784 . . . . 0.0 110.946 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -55.7 -31.09 62.15 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.563 1.145 . . . . 0.0 113.855 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -76.22 -19.42 58.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.349 1.459 . . . . 0.0 114.141 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.52 142.13 50.13 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.316 -0.865 . . . . 0.0 111.191 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -81.57 58.25 3.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.837 0.827 . . . . 0.0 111.787 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.64 133.75 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.693 1.997 . . . . 0.0 111.102 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.11 144.87 22.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.118 0.967 . . . . 0.0 112.667 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 43.38 31.97 0.45 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.545 1.938 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.82 9.96 73.45 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 120.827 -1.171 . . . . 0.0 115.926 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 167.72 21.27 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.94 1.87 . . . . 0.0 112.331 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.64 141.21 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.189 0.996 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -73.94 126.57 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.17 152.03 26.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.876 0.87 . . . . 0.0 112.594 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.8 t -71.78 106.76 4.27 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 110.584 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.05 -39.91 75.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 111.559 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -64.74 -42.43 95.19 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 0.0 111.651 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -68.75 -37.8 79.67 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.135 -0.978 . . . . 0.0 112.048 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.18 -26.01 64.44 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.739 1.216 . . . . 0.0 112.642 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -98.33 7.17 46.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.847 1.659 . . . . 0.0 112.963 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.05 6.3 69.48 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 117.918 1.927 . . . . 0.0 117.918 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -152.51 88.12 1.34 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.189 1.995 . . . . 0.0 112.884 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -53.43 128.1 27.41 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.041 1.336 . . . . 0.0 110.303 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.5 m . . . . . 0 N--CA 1.477 0.912 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.671 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 t . . . . . 0 CA--C 1.543 0.694 0 CA-C-O 122.413 1.102 . . . . 0.0 110.218 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -127.59 12.51 6.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.995 2.518 . . . . 0.0 112.76 -175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -104.12 169.62 8.38 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.083 1.753 . . . . 0.0 111.941 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.78 135.14 34.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.894 0.877 . . . . 0.0 111.112 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -102.01 104.71 37.83 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -85.71 160.57 10.65 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.092 2.528 . . . . 0.0 113.472 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.34 158.59 44.53 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.713 2.942 . . . . 0.0 111.824 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -45.19 -43.46 16.37 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.679 3.586 . . . . 0.0 116.579 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -62.74 -40.55 97.58 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.243 -0.911 . . . . 0.0 112.053 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -79.54 -28.3 41.26 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.889 0.876 . . . . 0.0 111.46 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.342 0.974 . . . . 0.0 109.664 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 m -64.2 -44.77 90.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.411 0.685 . . . . 0.0 110.416 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -60.95 -37.82 83.69 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.737 -0.602 . . . . 0.0 111.191 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.33 -46.82 78.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.263 1.025 . . . . 0.0 110.529 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.49 -44.55 80.77 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.241 0.616 . . . . 0.0 110.181 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.7 mt -63.04 -45.46 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.294 1.038 . . . . 0.0 110.916 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -53.75 -45.22 70.5 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.553 1.141 . . . . 0.0 112.222 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.962 0 CA-C-O 119.546 -0.586 . . . . 0.0 114.239 178.757 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 . . . . . 0 CA--C 1.541 0.616 0 CA-C-O 121.752 0.787 . . . . 0.0 112.826 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.6 p -68.1 -12.99 61.86 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.562 -1.336 . . . . 0.0 114.569 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -56.13 -27.4 53.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.791 1.236 . . . . 0.0 113.439 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -86.61 -17.9 32.76 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.12 -15.75 24.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.52 1.528 . . . . 0.0 112.754 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.77 152.21 29.93 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.399 1.454 . . . . 0.0 114.179 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -133.08 145.35 50.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.869 2.067 . . . . 0.0 108.363 173.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.25 141.37 35.62 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.92 139.68 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.947 1.299 . . . . 0.0 109.272 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.72 132.81 54.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.051 0.941 . . . . 0.0 111.956 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -65.29 -41.85 93.71 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.899 0.88 . . . . 0.0 111.503 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.74 -26.86 61.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.364 0.666 . . . . 0.0 111.703 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.41 -42.74 82.77 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.729 -1.232 . . . . 0.0 110.362 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.3 -35.64 81.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.205 1.002 . . . . 0.0 111.54 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -75.0 -16.37 60.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.94 1.296 . . . . 0.0 113.089 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.98 44.8 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.013 1.292 . . . . 0.0 113.458 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.1 p -124.81 -13.71 6.87 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.89 145.5 56.21 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.965 1.257 . . . . 0.0 111.166 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 p -140.08 59.69 1.57 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.459 1.104 . . . . 0.0 113.072 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -149.6 148.75 26.74 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.825 2.05 . . . . 0.0 110.116 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.74 157.77 51.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.986 1.791 . . . . 0.0 110.149 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.32 -32.45 25.24 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.029 0.932 . . . . 0.0 112.237 176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -64.35 -24.76 67.75 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.622 2.369 . . . . 0.0 115.006 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -120.0 -20.31 7.52 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.3 155.16 41.0 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.792 0.806 . . . . 0.0 111.679 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.83 -9.69 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.07 1.348 . . . . 0.0 113.997 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.79 -179.93 6.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.432 1.893 . . . . 0.0 111.985 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 143.38 26.84 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.09 71.11 15.96 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 127.055 2.142 . . . . 0.0 110.863 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.62 165.12 33.48 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.974 3.116 . . . . 0.0 114.035 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.38 167.8 9.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.728 1.611 . . . . 0.0 110.212 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.73 -26.34 44.89 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -78.54 -16.37 57.53 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.586 1.554 . . . . 0.0 114.197 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -77.88 157.04 30.01 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.15 0.886 . . . . 0.0 112.423 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 50.08 0.61 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.309 1.444 . . . . 0.0 112.209 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.09 127.23 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.874 -1.141 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.65 130.11 12.97 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.348 1.059 . . . . 0.0 111.413 -176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 45.91 36.91 3.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.77 1.628 . . . . 0.0 115.249 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 115.458 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -131.93 167.42 19.66 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.625 1.97 . . . . 0.0 110.733 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.04 137.34 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mt -74.86 129.49 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.02 151.99 25.59 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.716 0.807 . . . . 0.0 112.513 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.76 109.83 8.56 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.059 1.344 . . . . 0.0 110.241 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.37 -45.73 84.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.357 1.063 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -60.83 -38.43 85.43 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.615 -0.678 . . . . 0.0 111.925 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -70.32 -39.86 74.51 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.333 -0.854 . . . . 0.0 111.66 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.29 -29.62 65.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.57 1.148 . . . . 0.0 112.101 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.86 5.45 51.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.469 1.508 . . . . 0.0 113.263 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.01 5.92 70.07 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 118.566 2.186 . . . . 0.0 118.566 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -152.67 88.68 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.419 2.11 . . . . 0.0 112.104 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.1 t -52.88 126.18 19.41 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.019 1.328 . . . . 0.0 111.16 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m . . . . . 0 N--CA 1.476 0.845 0 C-N-CA 124.878 1.271 . . . . 0.0 114.221 -174.831 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 t . . . . . 0 CA--C 1.543 0.695 0 CA-C-O 122.626 1.203 . . . . 0.0 110.779 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -132.19 0.65 3.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.217 2.607 . . . . 0.0 112.505 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -89.93 167.69 12.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.027 1.731 . . . . 0.0 111.272 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 tp -84.68 135.18 34.27 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.972 -1.08 . . . . 0.0 112.088 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -101.69 104.67 36.37 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 171.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -89.73 161.44 5.18 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 C-N-CA 122.993 2.462 . . . . 0.0 112.385 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.0 160.4 47.69 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.29 2.66 . . . . 0.0 111.702 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.3 -44.18 13.1 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.389 3.393 . . . . 0.0 116.218 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -62.27 -30.74 71.34 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -86.03 -31.66 21.86 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.403 1.081 . . . . 0.0 111.292 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -58.35 -46.34 86.46 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.644 1.111 . . . . 0.0 110.32 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -60.52 -41.92 95.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.038 0.535 . . . . 0.0 111.72 177.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.99 -40.23 94.93 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.68 -0.638 . . . . 0.0 110.954 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.69 -47.43 83.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.14 0.976 . . . . 0.0 111.02 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -63.4 -38.42 91.08 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.37 -0.831 . . . . 0.0 112.366 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.05 -48.16 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.546 0.738 . . . . 0.0 110.092 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -60.8 -41.9 96.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.228 0.611 . . . . 0.0 111.25 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.524 0.613 0 C-N-CA 124.22 0.914 . . . . 0.0 111.864 176.948 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 . . . . . 0 CA--C 1.543 0.683 0 N-CA-C 114.189 1.181 . . . . 0.0 114.189 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -66.87 -16.98 64.66 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 119.785 -1.822 . . . . 0.0 113.21 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -59.1 -26.32 64.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.863 1.265 . . . . 0.0 113.491 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -87.23 -21.04 26.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.002 0.819 . . . . 0.0 112.2 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.33 -15.28 38.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.8 144.44 33.54 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -130.11 134.91 47.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.846 2.058 . . . . 0.0 110.349 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.06 140.71 58.36 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.553 1.541 . . . . 0.0 114.41 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -90.25 140.02 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.523 1.929 . . . . 0.0 110.404 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -61.94 124.12 19.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.385 1.074 . . . . 0.0 112.932 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -35.88 78.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.285 1.034 . . . . 0.0 112.293 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.66 -32.13 62.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.219 0.608 . . . . 0.0 111.083 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.6 -42.25 91.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.773 -1.204 . . . . 0.0 110.301 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.54 -16.18 54.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.384 1.474 . . . . 0.0 113.651 175.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.99 0.12 15.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.938 1.695 . . . . 0.0 112.686 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.18 28.0 70.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.912 1.244 . . . . 0.0 114.834 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.4 p -115.39 -14.97 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 t -68.99 144.01 54.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.402 1.001 . . . . 0.0 111.041 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.09 59.96 1.56 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.341 1.056 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -149.24 150.1 30.95 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 126.576 1.95 . . . . 0.0 110.551 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.96 156.71 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.109 1.873 . . . . 0.0 110.251 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -52.03 -33.15 37.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.003 0.921 . . . . 0.0 112.242 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -64.0 -24.67 67.8 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 127.463 2.305 . . . . 0.0 114.968 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -120.01 -18.68 8.09 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.1 163.61 25.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.428 1.109 . . . . 0.0 112.9 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -73.49 -19.39 60.94 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.557 1.943 . . . . 0.0 114.104 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.89 -179.71 6.37 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.208 2.203 . . . . 0.0 111.575 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 148.89 22.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -120.04 78.62 24.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.041 2.137 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.02 165.14 31.14 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.414 3.409 . . . . 0.0 115.188 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.6 p -105.46 175.62 5.43 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.367 1.867 . . . . 0.0 110.794 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.77 -21.64 66.52 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 m -91.57 -17.13 26.09 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.277 1.431 . . . . 0.0 113.68 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -65.58 147.35 53.55 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.686 0.675 . . . . 0.0 112.362 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -81.39 64.4 6.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.317 1.047 . . . . 0.0 111.654 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.75 135.37 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.236 1.415 . . . . 0.0 109.559 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -154.98 135.52 13.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.28 1.432 . . . . 0.0 110.823 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 42.76 39.49 1.7 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.228 1.811 . . . . 0.0 115.5 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.59 13.25 80.46 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 120.879 -1.138 . . . . 0.0 115.414 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -131.05 169.2 16.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.915 2.086 . . . . 0.0 110.556 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.21 137.97 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.3 mt -72.86 127.54 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.56 152.06 22.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.094 0.958 . . . . 0.0 113.026 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.35 106.09 3.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.82 1.648 . . . . 0.0 110.554 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.51 -42.52 64.38 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.403 1.081 . . . . 0.0 111.902 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -64.11 -32.88 74.61 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.57 -0.707 . . . . 0.0 112.007 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 t -69.36 -41.65 76.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.632 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.69 -33.06 71.09 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.412 1.006 . . . . 0.0 111.772 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -81.09 -2.46 48.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.814 1.246 . . . . 0.0 112.831 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.08 69.96 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 126.279 1.895 . . . . 0.0 117.291 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -154.64 92.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.391 1.595 . . . . 0.0 111.851 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.3 t -56.8 131.3 48.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.94 0.896 . . . . 0.0 109.345 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t . . . . . 0 N--CA 1.474 0.74 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.092 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.1 t . . . . . 0 CA--C 1.548 0.881 0 CA-C-O 122.093 0.949 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 61.1 pttt -134.05 17.78 3.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.882 2.473 . . . . 0.0 112.66 -178.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -109.38 170.03 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.033 2.133 . . . . 0.0 112.642 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.1 tp -84.53 135.11 34.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.995 -1.066 . . . . 0.0 111.925 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -97.73 104.82 23.07 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.65 150.0 16.55 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.383 2.055 . . . . 0.0 113.609 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.37 162.75 41.26 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.382 2.721 . . . . 0.0 110.793 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -42.97 -42.65 9.33 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.536 3.491 . . . . 0.0 117.015 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -66.09 -48.87 69.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.174 0.897 . . . . 0.0 112.954 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.82 -33.84 71.1 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.423 -0.798 . . . . 0.0 111.597 176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.89 -47.05 87.32 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.137 1.375 . . . . 0.0 110.372 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.9 m -63.68 -42.99 97.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.356 0.663 . . . . 0.0 110.836 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.62 -38.77 91.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.655 0.661 . . . . 0.0 111.222 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.98 -46.01 89.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.63 0.772 . . . . 0.0 110.757 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.61 -37.86 85.49 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.291 -0.88 . . . . 0.0 111.789 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.3 -45.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.108 0.963 . . . . 0.0 110.235 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.68 -40.7 88.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.044 0.938 . . . . 0.0 110.314 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 C--N 1.338 0.654 0 C-N-CA 125.109 1.337 . . . . 0.0 110.918 175.95 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t0 . . . . . 0 CA--C 1.543 0.676 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -57.07 -18.75 15.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.24 -1.537 . . . . 0.0 114.662 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.07 -26.32 68.19 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.737 1.153 . . . . 0.0 113.019 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -80.29 -12.67 59.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.695 0.68 . . . . 0.0 112.367 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.72 -15.79 14.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.624 1.57 . . . . 0.0 113.57 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -79.9 151.64 30.04 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.62 1.555 . . . . 0.0 113.709 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.1 mt -133.08 138.88 46.88 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.891 2.076 . . . . 0.0 108.654 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.5 146.47 40.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.41 140.03 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.219 1.807 . . . . 0.0 109.807 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.16 134.5 57.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 112.419 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -68.52 -42.06 79.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.888 0.875 . . . . 0.0 111.567 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.79 -28.06 66.44 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.182 0.593 . . . . 0.0 111.502 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.7 -44.64 73.52 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.755 -1.216 . . . . 0.0 110.556 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.64 -35.26 80.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.152 0.981 . . . . 0.0 111.295 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -73.05 -20.36 60.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.094 1.758 . . . . 0.0 112.915 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 33.05 34.2 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.396 1.474 . . . . 0.0 113.736 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -128.16 -11.63 5.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.9 148.7 42.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.876 1.216 . . . . 0.0 112.415 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -140.0 59.82 1.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.804 1.242 . . . . 0.0 113.512 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -152.89 150.12 23.58 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 126.859 2.064 . . . . 0.0 110.764 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.08 158.75 48.92 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.159 1.906 . . . . 0.0 109.594 173.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.75 -33.5 23.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.237 1.015 . . . . 0.0 112.587 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -64.41 -25.84 68.19 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.385 2.274 . . . . 0.0 114.745 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -120.04 -14.76 8.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.89 157.68 32.98 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.036 0.834 . . . . 0.0 111.476 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.64 -9.52 58.75 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.219 1.408 . . . . 0.0 114.685 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -141.36 -179.9 6.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.805 2.042 . . . . 0.0 111.225 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 147.83 23.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -175.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -120.24 71.6 17.47 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 127.225 2.21 . . . . 0.0 111.186 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.69 165.11 33.1 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 124.023 3.149 . . . . 0.0 113.844 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 t -105.45 177.36 4.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.77 1.228 . . . . 0.0 111.62 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.12 -27.31 66.94 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.214 1.406 . . . . 0.0 113.468 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -80.16 -16.49 54.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.399 1.48 . . . . 0.0 114.141 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.7 m -78.87 150.44 32.21 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.201 0.909 . . . . 0.0 112.111 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -79.72 62.74 4.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.082 0.953 . . . . 0.0 111.405 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 t -72.73 129.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.229 1.412 . . . . 0.0 109.598 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -144.38 129.7 18.8 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.334 1.453 . . . . 0.0 111.634 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 42.43 40.46 1.88 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.907 1.683 . . . . 0.0 115.253 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.26 78.36 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.092 -1.005 . . . . 0.0 115.285 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -133.35 166.06 23.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.9 2.08 . . . . 0.0 110.48 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.6 138.46 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -75.83 126.68 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 151.33 30.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.561 0.745 . . . . 0.0 112.166 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 t -75.77 112.26 11.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.081 1.352 . . . . 0.0 110.523 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.73 -44.37 85.98 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.394 -0.816 . . . . 0.0 110.99 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -62.7 -39.72 94.9 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.888 -0.508 . . . . 0.0 111.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -69.11 -38.47 78.92 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.964 -1.085 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.79 -33.02 72.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.317 1.047 . . . . 0.0 110.9 174.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -6.89 52.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.595 1.558 . . . . 0.0 112.543 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 8.79 66.31 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 126.976 2.227 . . . . 0.0 116.267 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -155.89 92.88 1.4 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.925 1.363 . . . . 0.0 111.591 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.3 t -55.1 142.43 30.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.133 0.973 . . . . 0.0 110.268 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m . . . . . 0 N--CA 1.478 0.942 0 C-N-CA 124.923 1.289 . . . . 0.0 114.213 -175.619 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 t . . . . . 0 CA--C 1.546 0.821 0 CA-C-O 121.678 0.751 . . . . 0.0 111.466 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 6.33 3.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 114.959 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.26 166.98 11.3 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.449 1.5 . . . . 0.0 109.173 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -84.63 135.07 34.33 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.56 -1.338 . . . . 0.0 111.789 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -102.22 104.69 38.48 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -87.1 151.18 8.21 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.793 2.329 . . . . 0.0 114.966 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.58 164.23 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.083 3.188 . . . . 0.0 110.613 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.2 -41.65 9.81 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.498 3.466 . . . . 0.0 117.023 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -68.14 -54.22 19.58 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.57 1.077 . . . . 0.0 112.102 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.87 -34.02 75.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.2 0.909 . . . . 0.0 111.651 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.96 -42.28 97.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.575 1.15 . . . . 0.0 110.399 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -64.36 -42.88 95.99 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.526 0.73 . . . . 0.0 110.751 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.93 -39.13 88.23 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.393 -0.817 . . . . 0.0 110.931 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -46.01 86.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.985 . . . . 0.0 110.739 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.44 -44.2 89.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.858 . . . . 0.0 111.104 176.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.31 -43.99 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 0.0 110.598 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -60.5 -38.7 85.17 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.633 1.173 . . . . 0.0 111.046 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 CA--C 1.529 0.959 0 C-N-CA 124.769 1.176 . . . . 0.0 113.033 176.447 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.5 mpp? . . . . . 0 CA--C 1.544 0.743 0 N-CA-C 112.974 0.731 . . . . 0.0 112.974 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -141.35 15.48 2.21 Favored 'General case' 0 CA--C 1.55 0.95 0 C-N-CA 125.966 1.706 . . . . 0.0 113.295 -179.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.6 m -138.15 163.16 29.8 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.949 0 C-N-CA 126.162 1.785 . . . . 0.0 111.469 -179.459 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 78.1 p -148.29 156.57 42.7 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 125.162 1.385 . . . . 0.0 111.65 179.179 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 7.7 p -139.32 147.98 23.97 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.68 0 C-N-CA 125.041 1.336 . . . . 0.0 112.311 -176.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.1 m -62.54 135.76 95.68 Favored Pre-proline 0 CA--C 1.544 0.739 0 C-N-CA 125.493 1.517 . . . . 0.0 110.881 179.16 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.8 Cg_exo -51.56 -32.26 43.25 Favored 'Trans proline' 0 CA--C 1.54 0.791 0 C-N-CA 123.768 2.979 . . . . 0.0 115.505 178.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.2 pt -120.04 160.02 20.8 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.653 0 C-N-CA 126.904 2.081 . . . . 0.0 112.404 -179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 95.4 mtt180 -60.53 131.26 50.17 Favored 'General case' 0 N--CA 1.476 0.828 0 C-N-CA 124.905 1.282 . . . . 0.0 110.882 176.634 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -79.1 99.71 7.06 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.131 0.572 . . . . 0.0 111.65 179.707 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 19.6 p -70.35 -16.71 63.01 Favored 'General case' 0 N--CA 1.48 1.069 0 O-C-N 120.298 -1.501 . . . . 0.0 113.755 178.475 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 67.2 mttm -56.93 -30.0 63.6 Favored 'General case' 0 N--CA 1.476 0.865 0 C-N-CA 124.904 1.282 . . . . 0.0 113.77 -179.298 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.2 p-90 -82.04 -12.14 58.44 Favored 'General case' 0 CA--C 1.544 0.724 0 N-CA-C 113.061 0.763 . . . . 0.0 113.061 177.357 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.9 mt -107.36 -15.36 14.65 Favored 'General case' 0 N--CA 1.473 0.719 0 C-N-CA 125.566 1.546 . . . . 0.0 113.367 177.25 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.77 150.4 30.79 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.919 1.236 . . . . 0.0 114.045 179.233 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 35.9 mt -130.99 147.53 52.64 Favored 'General case' 0 N--CA 1.469 0.491 0 C-N-CA 126.116 1.766 . . . . 0.0 109.455 174.042 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -81.39 137.62 35.68 Favored 'General case' 0 CA--C 1.535 0.368 0 C-N-CA 124.584 1.154 . . . . 0.0 113.682 -176.7 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 63.1 t -82.52 139.24 18.13 Favored 'Isoleucine or valine' 0 N--CA 1.467 0.388 0 C-N-CA 125.342 1.457 . . . . 0.0 109.242 176.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 39.9 t -56.79 132.61 52.76 Favored 'General case' 0 CA--C 1.542 0.644 0 CA-C-O 121.938 0.875 . . . . 0.0 112.27 -179.784 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.48 ' NH2' HE22 ' A' ' 23' ' ' GLN . 5.3 mmp_? -63.0 -37.78 88.56 Favored 'General case' 0 N--CA 1.474 0.741 0 C-N-CA 124.551 1.14 . . . . 0.0 112.012 -179.377 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -79.99 -28.68 39.46 Favored 'General case' 0 CA--C 1.538 0.496 0 C-N-CA 124.204 1.001 . . . . 0.0 112.51 178.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.1 t80 -63.45 -42.2 98.66 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 120.783 -1.198 . . . . 0.0 110.811 175.578 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.48 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.7 mt-30 -66.0 -16.24 63.72 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 125.108 1.363 . . . . 0.0 113.192 175.974 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.9 mtp180 -105.6 -5.83 19.79 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 126.524 1.93 . . . . 0.0 112.927 178.217 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.78 28.81 70.18 Favored Glycine 0 CA--C 1.537 1.408 0 C-N-CA 124.707 1.146 . . . . 0.0 113.52 -177.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 33.4 p -118.14 -8.95 10.59 Favored 'General case' 0 N--CA 1.478 0.94 0 N-CA-C 115.139 1.533 . . . . 0.0 115.139 -176.156 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.5 t -70.68 150.14 46.27 Favored 'General case' 0 CA--C 1.551 1.002 0 CA-C-N 119.337 0.972 . . . . 0.0 111.49 177.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.4 m -140.03 59.72 1.57 Allowed 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.779 1.232 . . . . 0.0 112.656 -179.55 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -154.32 148.99 19.63 Favored Pre-proline 0 N--CA 1.478 0.936 0 C-N-CA 126.701 2.001 . . . . 0.0 110.727 176.166 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 94.7 Cg_endo -72.22 159.71 49.03 Favored 'Trans proline' 0 CA--C 1.541 0.83 0 C-N-CA 122.154 1.903 . . . . 0.0 109.644 173.395 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.6 t70 -51.84 -31.25 26.9 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 124.079 0.951 . . . . 0.0 112.716 176.886 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.7 m -68.69 -22.49 64.36 Favored 'General case' 0 N--CA 1.471 0.575 0 C-N-CA 127.386 2.275 . . . . 0.0 114.838 179.297 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.1 tp10 -119.97 -19.06 8.0 Favored 'General case' 0 N--CA 1.475 0.781 0 N-CA-C 114.155 1.169 . . . . 0.0 114.155 -174.819 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -72.64 160.24 32.55 Favored 'General case' 0 CA--C 1.549 0.931 0 CA-C-O 122.03 0.919 . . . . 0.0 112.077 177.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.8 tptm -72.98 -20.44 61.02 Favored 'General case' 0 N--CA 1.475 0.811 0 C-N-CA 125.986 1.714 . . . . 0.0 113.015 179.252 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 74.3 m-85 -132.39 -179.95 5.75 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.467 1.907 . . . . 0.0 112.175 -176.622 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 145.6 25.07 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.657 0.984 . . . . 0.0 113.657 -175.028 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.8 m170 -120.14 74.97 22.02 Favored Pre-proline 0 CA--C 1.553 1.069 0 C-N-CA 126.896 2.078 . . . . 0.0 110.227 177.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_endo -69.18 165.1 31.45 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.21 3.273 . . . . 0.0 114.224 -178.07 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 78.2 p -100.09 172.71 7.03 Favored 'General case' 0 N--CA 1.467 0.416 0 C-N-CA 125.592 1.557 . . . . 0.0 111.758 178.617 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.6 mttp -62.53 -19.15 63.35 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 124.198 0.999 . . . . 0.0 112.991 175.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 44.5 m -89.22 -15.98 32.37 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.509 1.523 . . . . 0.0 113.539 178.851 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.1 m -73.95 149.99 41.05 Favored 'General case' 0 CA--C 1.542 0.649 0 CA-C-N 118.996 0.816 . . . . 0.0 111.608 178.364 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.7 mm-40 -79.19 51.38 1.17 Allowed 'General case' 0 CA--C 1.549 0.909 0 C-N-CA 124.48 1.112 . . . . 0.0 112.495 177.641 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 10.0 t -63.65 134.25 28.78 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.813 0 C-N-CA 125.318 1.447 . . . . 0.0 111.232 -179.35 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.4 tp10 -152.84 134.66 14.66 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 124.567 1.147 . . . . 0.0 111.131 178.768 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 43.01 38.46 1.45 Allowed 'General case' 0 CA--C 1.556 1.195 0 C-N-CA 126.296 1.839 . . . . 0.0 115.404 178.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.67 20.34 76.62 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 121.046 -1.034 . . . . 0.0 115.002 -179.438 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 86.8 mmt-85 -134.86 160.94 36.65 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 127.393 2.277 . . . . 0.0 110.626 -179.696 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -146.53 140.56 20.58 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.928 0 N-CA-C 108.0 -1.111 . . . . 0.0 108.0 173.833 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 27.2 mt -75.14 128.01 36.89 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.642 0 N-CA-C 107.131 -1.433 . . . . 0.0 107.131 173.472 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.1 150.07 23.58 Favored 'General case' 0 CA--C 1.546 0.812 0 C-N-CA 123.378 0.671 . . . . 0.0 112.132 179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 34.2 t -67.34 110.6 3.62 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.539 1.536 . . . . 0.0 111.487 -178.602 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 1.4 t80 -52.51 -48.04 66.26 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.163 1.785 . . . . 0.0 111.173 179.619 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.8 m-20 -61.78 -40.48 95.34 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.946 -0.472 . . . . 0.0 111.722 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.0 t -68.18 -40.78 82.17 Favored 'General case' 0 N--CA 1.471 0.577 0 O-C-N 121.141 -0.975 . . . . 0.0 111.721 174.588 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.41 HD13 HD12 ' A' ' 79' ' ' LEU . 54.2 mt -59.05 -32.94 70.21 Favored 'General case' 0 N--CA 1.472 0.64 0 C-N-CA 124.967 1.307 . . . . 0.0 112.071 176.54 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 49.7 mmtm -83.62 0.21 47.77 Favored 'General case' 0 N--CA 1.477 0.909 0 C-N-CA 125.17 1.388 . . . . 0.0 112.78 175.1 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 8.53 66.92 Favored Glycine 0 CA--C 1.531 1.085 0 C-N-CA 126.476 1.989 . . . . 0.0 117.138 176.32 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.7 tpp85 -154.97 90.66 1.3 Allowed 'General case' 0 N--CA 1.474 0.774 0 CA-C-N 119.449 1.625 . . . . 0.0 112.224 178.248 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 17.0 t -55.23 144.08 25.73 Favored 'General case' 0 CA--C 1.55 0.947 0 C-N-CA 124.161 0.984 . . . . 0.0 110.521 176.686 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 70.6 m -118.7 19.85 13.06 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 124.733 1.213 . . . . 0.0 113.531 -177.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 4.4 mpt_? -130.17 179.79 5.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 127.123 2.169 . . . . 0.0 109.967 175.254 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -124.54 -16.7 6.22 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.039 1.336 . . . . 0.0 113.556 179.75 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 61.4 t30 -157.7 57.46 0.49 Allowed 'General case' 0 CA--C 1.549 0.912 0 C-N-CA 125.982 1.713 . . . . 0.0 110.422 179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 3.8 p -79.76 148.34 31.51 Favored 'General case' 0 CA--C 1.55 0.952 0 CA-C-O 122.717 1.246 . . . . 0.0 112.406 -177.466 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 56.4 pttt -77.37 -7.67 56.45 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 116.297 1.962 . . . . 0.0 116.297 -175.304 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -89.97 169.51 11.15 Favored 'General case' 0 CA--C 1.545 0.769 0 C-N-CA 125.021 1.328 . . . . 0.0 112.628 -178.162 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 23.7 tp -84.7 135.15 34.27 Favored 'General case' 0 CA--C 1.54 0.578 0 C-N-CA 124.862 1.265 . . . . 0.0 111.706 -179.595 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 7.5 m170 -102.7 104.7 40.4 Favored Pre-proline 0 CA--C 1.547 0.848 0 N-CA-C 107.916 -1.142 . . . . 0.0 107.916 171.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -88.42 162.08 6.75 Favored 'Trans proline' 0 CA--C 1.548 1.185 0 C-N-CA 123.352 2.701 . . . . 0.0 112.132 179.645 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.2 Cg_endo -71.85 159.57 50.2 Favored 'Trans proline' 0 CA--C 1.545 1.025 0 C-N-CA 123.346 2.697 . . . . 0.0 111.912 176.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 98.9 Cg_exo -43.91 -41.5 12.12 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 124.891 3.727 . . . . 0.0 116.708 -179.092 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 38.0 p-80 -64.17 -43.1 96.18 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.292 -0.88 . . . . 0.0 112.063 177.944 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 27.2 mt -72.67 -33.54 66.62 Favored 'General case' 0 CA--C 1.54 0.564 0 CA-C-O 118.403 -0.808 . . . . 0.0 111.496 175.177 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 97.9 mttt -58.45 -44.07 89.07 Favored 'General case' 0 N--CA 1.483 1.196 0 CA-C-N 119.829 1.195 . . . . 0.0 109.75 172.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 60.1 m -63.71 -45.14 91.32 Favored 'General case' 0 N--CA 1.47 0.568 0 C-N-CA 123.735 0.814 . . . . 0.0 111.382 177.86 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 19.6 mm100 -61.6 -39.14 90.14 Favored 'General case' 0 N--CA 1.472 0.635 0 CA-C-N 119.158 0.89 . . . . 0.0 111.284 177.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.41 HD12 HD13 ' A' ' 57' ' ' LEU . 2.3 tm? -65.92 -46.14 79.33 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.724 0.809 . . . . 0.0 110.682 176.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.1 mt-10 -62.59 -35.91 81.05 Favored 'General case' 0 N--CA 1.471 0.579 0 O-C-N 121.056 -1.028 . . . . 0.0 111.948 176.385 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.1 mt -62.66 -42.33 95.66 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.862 0 CA-C-N 119.653 1.115 . . . . 0.0 109.957 174.742 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.6 m-80 -62.63 -40.39 96.85 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.648 -0.658 . . . . 0.0 111.287 175.532 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -65.31 -52.0 44.26 Favored Glycine 0 CA--C 1.533 1.175 0 C-N-CA 123.797 0.713 . . . . 0.0 111.649 176.153 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 19.9 mmm180 -54.96 -36.42 65.31 Favored 'General case' 0 N--CA 1.476 0.874 0 C-N-CA 126.051 1.74 . . . . 0.0 113.54 177.763 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.3 m-80 -57.67 -29.66 64.8 Favored 'General case' 0 CA--C 1.546 0.819 0 CA-C-N 119.383 0.992 . . . . 0.0 112.882 177.014 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 69.5 m-20 -76.85 -38.37 53.88 Favored 'General case' 0 CA--C 1.543 0.698 0 CA-C-N 118.806 0.73 . . . . 0.0 111.151 175.057 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.407 HD11 " H2'" ' B' ' 103' ' ' ' U' . 3.8 mm? -63.84 -40.67 97.14 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.563 0.62 . . . . 0.0 110.463 174.567 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 91.7 mt -70.72 -27.05 29.39 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 C-N-CA 125.582 1.553 . . . . 0.0 110.204 176.068 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 52.07 45.12 28.89 Favored 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 127.432 2.293 . . . . 0.0 112.06 -177.454 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 33.0 tt0 -50.45 -33.33 20.66 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 125.625 1.57 . . . . 0.0 114.245 -177.449 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 56.0 tptt -65.49 -22.19 66.71 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.13 1.372 . . . . 0.0 113.601 177.322 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 31.2 t30 . . . . . 0 CA--C 1.54 0.577 0 C-N-CA 126.225 1.81 . . . . 0.0 110.661 179.811 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.627 3.436 0 C4'-C3'-C2' 100.277 -2.423 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.244 0 N19-C1'-C2' 118.05 2.906 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.642 1 O4'-C1'-N19 116.068 7.868 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.542 2.443 2 O4'-C1'-N19 116.082 7.882 . 0.231 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.23 1 O4'-C1'-N19 115.743 7.543 . 0.159 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 1 O4'-C1'-N19 115.188 6.988 . 0.389 2o . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.463 0 P-O3'-C3' 122.247 2.122 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 C3'-C2'-C1' 105.498 4.443 . 0.045 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.407 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.62 2.665 1 P-O3'-C3' 125.226 4.605 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.898 0 C3'-C2'-C1' 103.744 2.494 . 0.303 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 O4'-C1'-N19 110.945 2.745 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.262 0 O4'-C1'-N19 112.046 3.846 . 0.396 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.085 1 O4'-C1'-N19 115.558 7.358 . 0.404 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.196 1 O4'-C1'-N19 113.253 5.053 . 0.481 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.198 1 O4'-C1'-N19 113.355 5.155 . 0.41 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.6 ttt . . . . . 0 CA--C 1.544 0.729 0 N-CA-C 112.719 0.637 . . . . 0.0 112.719 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.14 12.12 2.83 Favored 'General case' 0 CA--C 1.55 0.973 0 C-N-CA 125.94 1.696 . . . . 0.0 113.46 -179.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.4 m -65.73 156.93 5.81 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.952 0 C-N-CA 124.875 1.27 . . . . 0.0 112.785 179.279 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.2 t -154.39 168.71 25.75 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.227 1.411 . . . . 0.0 111.544 179.157 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 34.3 m -142.62 159.25 18.99 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.974 0 C-N-CA 126.311 1.844 . . . . 0.0 111.32 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 49.7 m -62.44 135.6 95.46 Favored Pre-proline 0 N--CA 1.479 0.993 0 C-N-CA 123.863 0.865 . . . . 0.0 111.407 179.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 71.5 Cg_exo -52.25 -33.02 53.19 Favored 'Trans proline' 0 C--N 1.355 0.891 0 C-N-CA 124.079 3.186 . . . . 0.0 115.922 179.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -120.1 158.84 21.84 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.614 0 C-N-CA 126.265 1.826 . . . . 0.0 112.485 -179.702 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.0 mtm-85 -78.97 171.48 15.15 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.117 1.767 . . . . 0.0 111.612 178.845 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 64.8 t0 -142.83 99.86 3.55 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 124.164 0.985 . . . . 0.0 112.23 -178.646 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 p -61.98 -17.27 56.46 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 115.895 1.813 . . . . 0.0 115.895 -178.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.5 pttp -59.18 -24.37 63.02 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 114.58 1.326 . . . . 0.0 114.58 -178.544 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 15.1 p-90 -83.33 -20.53 34.17 Favored 'General case' 0 CA--C 1.541 0.601 0 N-CA-C 112.585 0.587 . . . . 0.0 112.585 176.502 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 70.5 mt -96.69 -16.16 21.07 Favored 'General case' 0 CA--C 1.542 0.672 0 C-N-CA 125.806 1.642 . . . . 0.0 113.102 177.576 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.2 p -79.71 149.01 31.32 Favored 'General case' 0 N--CA 1.478 0.959 0 CA-C-N 120.71 1.596 . . . . 0.0 114.252 -178.628 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -135.98 137.65 41.48 Favored 'General case' 0 N--CA 1.47 0.542 0 C-N-CA 126.75 2.02 . . . . 0.0 108.978 175.459 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 31.3 tt0 -75.66 144.79 41.47 Favored 'General case' 0 CA--C 1.544 0.712 0 C-N-CA 124.623 1.169 . . . . 0.0 113.703 -176.919 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.3 t -88.01 140.07 16.36 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.603 0 C-N-CA 127.161 2.184 . . . . 0.0 110.803 179.428 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.3 t -56.79 134.53 55.16 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.492 1.117 . . . . 0.0 113.062 -179.759 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 77.2 ttt180 -64.49 -37.44 87.54 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 124.956 1.302 . . . . 0.0 112.348 -179.624 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -79.58 -31.52 41.87 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.116 0.966 . . . . 0.0 111.82 178.619 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -62.63 -42.26 99.49 Favored 'General case' 0 CA--C 1.538 0.515 0 O-C-N 120.852 -1.155 . . . . 0.0 111.189 175.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 40.5 mt-30 -63.55 -16.37 60.61 Favored 'General case' 0 CA--C 1.546 0.801 0 C-N-CA 125.039 1.335 . . . . 0.0 113.404 175.736 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.5 mpp_? -109.21 -0.0 19.46 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 127.033 2.133 . . . . 0.0 112.829 177.942 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 68.95 25.1 75.58 Favored Glycine 0 CA--C 1.536 1.385 0 C-N-CA 125.01 1.29 . . . . 0.0 114.549 -179.875 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 27.1 p -110.16 -15.29 14.04 Favored 'General case' 0 N--CA 1.479 1.001 0 N-CA-C 114.665 1.357 . . . . 0.0 114.665 -177.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.4 t -72.96 140.1 47.17 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 119.425 1.012 . . . . 0.0 109.794 175.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 77.8 p -140.04 59.88 1.56 Allowed 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 124.15 0.98 . . . . 0.0 113.589 -177.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 8.6 ptp85 -158.47 155.69 25.95 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 126.255 1.822 . . . . 0.0 111.103 178.724 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.9 Cg_endo -70.54 159.41 52.91 Favored 'Trans proline' 0 CA--C 1.538 0.696 0 C-N-CA 122.134 1.889 . . . . 0.0 111.594 178.441 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 8.3 t0 -51.66 -38.31 54.36 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 125.084 1.354 . . . . 0.0 112.077 178.187 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.3 m -61.56 -28.01 69.03 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 126.563 1.945 . . . . 0.0 113.737 177.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -97.31 -30.44 12.96 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.647 1.179 . . . . 0.0 112.287 -179.775 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.4 t -74.21 170.02 16.4 Favored 'General case' 0 CA--C 1.548 0.879 0 CA-C-O 122.057 0.932 . . . . 0.0 112.946 178.79 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -90.86 -13.39 33.79 Favored 'General case' 0 N--CA 1.478 0.937 0 C-N-CA 125.803 1.641 . . . . 0.0 113.111 179.766 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 68.9 m-85 -136.15 -179.87 5.93 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 126.52 1.928 . . . . 0.0 112.175 -176.84 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.77 147.46 23.8 Favored 'General case' 0 CA--C 1.545 0.78 0 N-CA-C 113.756 1.021 . . . . 0.0 113.756 -175.456 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 57.3 m170 -120.12 68.89 13.66 Favored Pre-proline 0 CA--C 1.555 1.155 0 C-N-CA 127.56 2.344 . . . . 0.0 111.614 179.268 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -71.75 165.13 33.49 Favored 'Trans proline' 0 CA--C 1.538 0.687 0 C-N-CA 124.378 3.385 . . . . 0.0 114.458 -178.094 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.4 p -95.33 169.47 10.05 Favored 'General case' 0 N--CA 1.467 0.392 0 C-N-CA 124.836 1.255 . . . . 0.0 111.38 176.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.4 -19.81 57.36 Favored 'General case' 0 N--CA 1.478 0.957 0 C-N-CA 124.306 1.043 . . . . 0.0 113.772 176.115 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 40.0 m -91.65 -13.53 31.67 Favored 'General case' 0 N--CA 1.471 0.601 0 C-N-CA 125.632 1.573 . . . . 0.0 113.791 179.696 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.0 m -72.47 158.93 34.8 Favored 'General case' 0 CA--C 1.544 0.74 0 CA-C-N 119.005 0.82 . . . . 0.0 112.513 179.124 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -72.74 39.95 0.09 Allowed 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 127.165 2.186 . . . . 0.0 113.137 177.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 3.9 t -65.7 130.14 30.67 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.793 0 C-N-CA 125.321 1.448 . . . . 0.0 111.748 -178.771 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.7 tp10 -153.97 139.72 18.02 Favored 'General case' 0 CA--C 1.542 0.665 0 C-N-CA 124.827 1.251 . . . . 0.0 111.177 178.201 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 62.9 t30 43.8 31.95 0.54 Allowed 'General case' 0 CA--C 1.553 1.068 0 C-N-CA 126.599 1.959 . . . . 0.0 115.394 178.95 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 87.91 10.48 69.37 Favored Glycine 0 CA--C 1.538 1.485 0 O-C-N 120.782 -1.199 . . . . 0.0 115.951 -179.705 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.53 167.2 22.44 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-N 119.999 1.9 . . . . 0.0 112.323 178.271 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.77 140.58 36.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.444 1.097 . . . . 0.0 108.659 178.9 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 39.1 mt -76.57 128.23 37.71 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.441 -1.318 . . . . 0.0 107.441 175.24 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 149.35 32.97 Favored 'General case' 0 CA--C 1.547 0.835 0 C-N-CA 124.033 0.933 . . . . 0.0 113.02 -179.527 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.5 t -70.95 112.48 7.15 Favored 'General case' 0 CA--C 1.546 0.824 0 C-N-CA 125.515 1.526 . . . . 0.0 111.39 179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.3 t80 -58.08 -46.27 85.75 Favored 'General case' 0 N--CA 1.471 0.589 0 C-N-CA 124.961 1.305 . . . . 0.0 111.477 179.821 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 68.4 m-20 -64.09 -39.26 93.66 Favored 'General case' 0 CA--C 1.546 0.814 0 O-C-N 121.654 -0.654 . . . . 0.0 112.018 179.722 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.4 t -67.22 -39.73 86.29 Favored 'General case' 0 N--CA 1.47 0.561 0 O-C-N 121.29 -0.881 . . . . 0.0 111.535 174.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 32.8 mt -59.93 -33.03 71.35 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 124.123 0.969 . . . . 0.0 111.99 175.517 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 14.0 mptt -81.62 0.02 40.37 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 125.131 1.372 . . . . 0.0 112.84 175.342 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 5.96 69.89 Favored Glycine 0 CA--C 1.532 1.145 0 C-N-CA 126.247 1.88 . . . . 0.0 117.034 175.543 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -152.71 90.51 1.48 Allowed 'General case' 0 N--CA 1.475 0.811 0 CA-C-N 119.345 1.573 . . . . 0.0 110.938 178.875 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 44.5 t -57.89 129.7 43.12 Favored 'General case' 0 CA--C 1.547 0.84 0 C-N-CA 124.052 0.941 . . . . 0.0 110.468 177.829 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.3 p -155.91 19.96 0.38 Allowed 'General case' 0 N--CA 1.475 0.823 0 C-N-CA 124.737 1.215 . . . . 0.0 113.783 -176.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -59.74 143.91 49.64 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.735 1.214 . . . . 0.0 113.406 -178.068 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -57.88 -36.88 73.01 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.614 1.166 . . . . 0.0 112.288 179.498 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.2 t30 -150.4 95.97 2.33 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 126.658 1.983 . . . . 0.0 107.317 174.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.6 t -79.91 112.13 16.91 Favored 'General case' 0 CA--C 1.546 0.825 0 CA-C-O 121.919 0.866 . . . . 0.0 111.419 -175.522 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.9 pttt -130.84 2.15 4.39 Favored 'General case' 0 N--CA 1.481 1.125 0 C-N-CA 127.547 2.339 . . . . 0.0 112.615 179.455 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 41.7 m-85 -90.02 167.56 12.68 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 126.415 1.886 . . . . 0.0 111.764 -176.542 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.4 tp -84.62 135.29 34.24 Favored 'General case' 0 N--CA 1.469 0.503 0 C-N-CA 124.182 0.993 . . . . 0.0 111.791 -177.227 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.2 m170 -98.18 104.73 24.32 Favored Pre-proline 0 CA--C 1.547 0.865 0 N-CA-C 107.886 -1.153 . . . . 0.0 107.886 173.336 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 77.5 Cg_endo -83.63 150.79 13.04 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.913 2.409 . . . . 0.0 113.547 -178.192 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.5 Cg_endo -73.1 158.94 48.57 Favored 'Trans proline' 0 CA--C 1.544 1.007 0 C-N-CA 123.818 3.012 . . . . 0.0 110.95 175.386 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 84.9 Cg_exo -45.29 -40.36 16.7 Favored 'Trans proline' 0 CA--C 1.537 0.669 0 C-N-CA 124.307 3.338 . . . . 0.0 116.24 -179.493 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 18.3 p-80 -67.75 -28.37 67.57 Favored 'General case' 0 N--CA 1.474 0.758 0 N-CA-C 114.086 1.143 . . . . 0.0 114.086 179.299 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 30.6 mt -86.0 -28.82 23.95 Favored 'General case' 0 N--CA 1.473 0.719 0 CA-C-N 119.135 0.88 . . . . 0.0 111.189 175.701 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 92.8 mttt -55.37 -35.14 64.94 Favored 'General case' 0 N--CA 1.478 0.943 0 CA-C-N 118.641 0.655 . . . . 0.0 111.058 173.883 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 92.7 m -58.65 -46.21 87.66 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 123.302 0.641 . . . . 0.0 112.242 176.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 3.0 mp0 -68.39 -36.51 79.24 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.313 -0.867 . . . . 0.0 110.507 177.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.3 -44.04 97.87 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.574 0.749 . . . . 0.0 110.541 175.556 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 34.8 mt-10 -63.96 -44.14 93.69 Favored 'General case' 0 N--CA 1.469 0.501 0 O-C-N 121.195 -0.941 . . . . 0.0 111.774 178.11 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.8 mt -63.09 -48.81 86.05 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 123.761 0.824 . . . . 0.0 110.472 177.547 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 49.6 t30 -60.1 -46.75 88.55 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 124.606 1.162 . . . . 0.0 110.823 177.995 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.89 -56.36 25.57 Favored Glycine 0 CA--C 1.524 0.653 0 C-N-CA 124.632 1.111 . . . . 0.0 112.408 176.723 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 25.8 mmt85 -57.09 -43.54 82.28 Favored 'General case' 0 N--CA 1.473 0.702 0 C-N-CA 123.99 0.916 . . . . 0.0 113.3 179.53 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -59.68 -40.67 88.61 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-N 118.183 0.447 . . . . 0.0 111.815 176.475 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.9 m-80 -66.81 -18.04 65.18 Favored 'General case' 0 CA--C 1.547 0.86 0 N-CA-C 114.732 1.382 . . . . 0.0 114.732 -179.67 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -66.64 -21.65 66.11 Favored 'General case' 0 N--CA 1.485 1.306 0 CA-C-N 121.81 2.096 . . . . 0.0 111.217 171.469 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 80.1 mt -87.77 -26.23 5.84 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.806 0 C-N-CA 125.743 1.617 . . . . 0.0 111.477 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -125.48 41.65 3.47 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 126.066 1.747 . . . . 0.0 113.122 -179.106 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 75.6 mt-30 -49.96 -26.23 4.04 Favored 'General case' 0 N--CA 1.479 0.984 0 N-CA-C 115.313 1.597 . . . . 0.0 115.313 -176.602 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 64.1 pttt -57.96 -30.17 65.78 Favored 'General case' 0 N--CA 1.477 0.9 0 C-N-CA 124.663 1.185 . . . . 0.0 113.252 176.148 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 41.3 t30 . . . . . 0 CA--C 1.541 0.61 0 C-N-CA 126.681 1.992 . . . . 0.0 109.75 178.28 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.18 1 O4'-C1'-N19 114.067 5.867 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.482 0 O4'-C1'-N19 111.085 2.885 . 0.505 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.198 0 O4'-C1'-N19 111.209 3.009 . 0.033 0a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.15 0 O4'-C1'-N19 111.461 3.261 . 0.458 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.222 1 O4'-C1'-N19 115.188 6.988 . 0.501 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.39 1 O4'-C1'-N19 112.418 4.218 . 0.01 2u . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.502 0 O3'-P-O5' 98.566 -2.86 . 0.183 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.401 2 C3'-C2'-C1' 105.909 4.899 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.226 0 P-O3'-C3' 124.374 3.895 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.628 2 O4'-C1'-N19 112.428 4.228 . 0.441 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.924 1 O4'-C1'-N19 117.124 8.924 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.151 0 O4'-C1'-N19 111.886 3.686 . 0.01 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.175 0 C4'-C3'-C2' 99.507 -3.193 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.566 0 O4'-C1'-N19 111.912 3.712 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.118 1 O4'-C1'-N19 112.292 4.092 . 0.01 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 76.7 mtm . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 113.471 0.915 . . . . 0.0 113.471 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.29 166.32 30.33 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.073 1.749 . . . . 0.0 111.913 179.601 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.3 m -140.64 162.66 23.23 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.052 0 C-N-CA 125.867 1.667 . . . . 0.0 111.683 179.662 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.7 t -153.63 167.77 28.44 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 125.465 1.506 . . . . 0.0 111.245 178.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 21.5 t -140.61 141.94 31.53 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.907 0 C-N-CA 125.85 1.66 . . . . 0.0 109.944 -179.973 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.3 m -62.39 132.36 94.15 Favored Pre-proline 0 N--CA 1.475 0.814 0 C-N-CA 125.17 1.388 . . . . 0.0 111.57 -179.834 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 73.4 Cg_endo -70.38 165.93 30.03 Favored 'Trans proline' 0 CA--C 1.54 0.825 0 C-N-CA 123.114 2.543 . . . . 0.0 112.648 179.099 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.0 pt -120.11 159.99 20.93 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.841 0 C-N-CA 125.263 1.425 . . . . 0.0 112.202 179.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -145.27 160.04 42.1 Favored 'General case' 0 N--CA 1.477 0.897 0 C-N-CA 126.594 1.957 . . . . 0.0 110.958 -179.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 30.6 t0 -157.58 99.83 1.75 Allowed 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 123.938 0.895 . . . . 0.0 112.271 179.589 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.2 p -57.11 -18.2 13.87 Favored 'General case' 0 N--CA 1.482 1.134 0 N-CA-C 115.315 1.598 . . . . 0.0 115.315 -179.9 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 98.2 mttt -58.7 -29.45 66.66 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.515 1.126 . . . . 0.0 113.511 178.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 17.4 p-90 -83.92 -16.23 45.02 Favored 'General case' 0 N--CA 1.474 0.768 0 CA-C-N 118.442 0.564 . . . . 0.0 112.288 175.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 73.1 mt -95.48 -17.22 21.65 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.584 1.554 . . . . 0.0 113.057 177.042 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.6 p -79.78 147.66 31.75 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.163 1.347 . . . . 0.0 114.038 -179.594 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.9 mt -130.03 143.38 50.76 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 126.898 2.079 . . . . 0.0 109.069 174.047 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -70.57 143.87 51.42 Favored 'General case' 0 N--CA 1.472 0.645 0 N-CA-C 114.068 1.136 . . . . 0.0 114.068 -176.811 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 99.3 t -84.92 137.83 20.16 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.719 0 C-N-CA 124.474 1.11 . . . . 0.0 109.27 174.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.7 t -58.34 131.48 50.79 Favored 'General case' 0 CA--C 1.543 0.693 0 C-N-CA 124.557 1.143 . . . . 0.0 112.3 -179.187 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 88.0 mtm-85 -67.68 -39.45 84.46 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.077 0.951 . . . . 0.0 111.645 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.3 mt-10 -71.26 -28.67 64.32 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.185 0.594 . . . . 0.0 111.654 176.571 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 83.9 t80 -67.34 -42.54 83.4 Favored 'General case' 0 N--CA 1.471 0.586 0 O-C-N 120.815 -1.178 . . . . 0.0 110.348 174.862 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.2 mt-30 -65.29 -38.68 90.98 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 124.223 1.009 . . . . 0.0 111.233 175.455 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 76.6 ttt180 -71.33 -20.37 62.19 Favored 'General case' 0 N--CA 1.478 0.962 0 C-N-CA 125.516 1.527 . . . . 0.0 112.864 176.414 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 32.06 36.91 Favored Glycine 0 CA--C 1.537 1.435 0 C-N-CA 125.206 1.384 . . . . 0.0 113.329 -178.059 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 43.2 p -122.32 -14.6 7.85 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 125.589 1.556 . . . . 0.0 114.802 -177.493 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.0 t -69.55 141.44 53.82 Favored 'General case' 0 CA--C 1.548 0.899 0 CA-C-N 119.602 1.092 . . . . 0.0 110.933 177.185 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 69.0 m -139.94 59.77 1.57 Allowed 'General case' 0 N--CA 1.476 0.837 0 C-N-CA 124.573 1.149 . . . . 0.0 112.539 -179.151 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 5.7 mmp_? -150.25 151.5 31.65 Favored Pre-proline 0 N--CA 1.478 0.951 0 C-N-CA 127.091 2.156 . . . . 0.0 110.362 176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_endo -72.33 158.9 50.72 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 122.181 1.921 . . . . 0.0 110.577 176.442 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 17.0 t70 -51.63 -33.2 32.21 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 124.396 1.078 . . . . 0.0 112.185 176.713 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -63.53 -23.43 67.39 Favored 'General case' 0 N--CA 1.467 0.387 0 C-N-CA 127.827 2.451 . . . . 0.0 114.997 178.47 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 54.6 mt-10 -116.53 -23.76 8.11 Favored 'General case' 0 N--CA 1.474 0.753 0 N-CA-C 113.787 1.032 . . . . 0.0 113.787 -176.539 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -72.59 161.17 31.12 Favored 'General case' 0 CA--C 1.55 0.98 0 CA-C-O 122.099 0.952 . . . . 0.0 112.497 179.473 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 87.6 tttt -75.35 -20.5 58.99 Favored 'General case' 0 N--CA 1.476 0.856 0 C-N-CA 125.949 1.7 . . . . 0.0 113.044 179.479 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 67.2 m-85 -133.49 -179.78 5.73 Favored 'General case' 0 CA--C 1.546 0.799 0 C-N-CA 126.329 1.852 . . . . 0.0 112.178 -176.124 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 145.92 24.81 Favored 'General case' 0 CA--C 1.545 0.762 0 N-CA-C 114.109 1.152 . . . . 0.0 114.109 -174.246 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 52.8 m170 -119.98 76.42 22.23 Favored Pre-proline 0 CA--C 1.55 0.956 0 C-N-CA 127.154 2.182 . . . . 0.0 110.875 179.073 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 70.0 Cg_endo -69.93 165.08 32.34 Favored 'Trans proline' 0 CA--C 1.536 0.621 0 C-N-CA 123.53 2.82 . . . . 0.0 114.61 -177.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.65 169.42 8.48 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 126.661 1.984 . . . . 0.0 110.274 175.533 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 58.3 tptt -55.81 -31.66 62.87 Favored 'General case' 0 N--CA 1.482 1.165 0 N-CA-C 113.846 1.054 . . . . 0.0 113.846 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 22.5 m -84.89 -14.17 48.64 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.443 1.497 . . . . 0.0 114.337 179.323 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 95.1 m -69.36 148.37 49.75 Favored 'General case' 0 CA--C 1.537 0.442 0 CA-C-N 119.184 0.902 . . . . 0.0 111.381 179.53 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 86.5 mm-40 -80.45 61.53 4.23 Favored 'General case' 0 N--CA 1.469 0.525 0 CA-C-O 121.958 0.885 . . . . 0.0 112.076 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 15.3 t -66.46 135.02 29.21 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.572 0 C-N-CA 125.035 1.334 . . . . 0.0 108.511 177.226 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 5.0 tm-20 -146.96 119.82 8.69 Favored 'General case' 0 CA--C 1.539 0.525 0 C-N-CA 125.3 1.44 . . . . 0.0 111.249 -174.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.0 t30 43.35 43.43 4.24 Favored 'General case' 0 CA--C 1.553 1.08 0 C-N-CA 126.013 1.725 . . . . 0.0 114.366 -177.568 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 76.83 18.91 78.39 Favored Glycine 0 CA--C 1.537 1.438 0 O-C-N 121.197 -0.939 . . . . 0.0 115.087 -179.07 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 35.3 mmt-85 -128.88 170.03 13.89 Favored 'General case' 0 N--CA 1.476 0.872 0 C-N-CA 127.396 2.279 . . . . 0.0 109.381 179.184 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -135.66 135.06 51.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.864 0 N-CA-C 107.454 -1.313 . . . . 0.0 107.454 172.294 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 14.8 mt -73.37 128.1 35.74 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.544 0 N-CA-C 107.019 -1.475 . . . . 0.0 107.019 174.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.68 151.99 24.98 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 123.637 0.775 . . . . 0.0 112.347 179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.2 t -73.98 111.35 9.05 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 125.109 1.364 . . . . 0.0 110.217 179.438 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 3.6 t80 -55.03 -46.43 75.29 Favored 'General case' 0 N--CA 1.472 0.648 0 C-N-CA 124.234 1.014 . . . . 0.0 110.919 178.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 73.8 m-20 -61.41 -39.6 91.34 Favored 'General case' 0 CA--C 1.546 0.817 0 C-N-CA 122.958 0.503 . . . . 0.0 111.957 179.954 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.8 t -70.33 -37.65 74.72 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.227 -0.921 . . . . 0.0 111.921 174.756 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.6 mt -60.69 -28.46 68.64 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 124.367 1.067 . . . . 0.0 111.923 175.186 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -91.05 0.52 57.52 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 125.421 1.488 . . . . 0.0 112.762 174.668 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 9.55 65.46 Favored Glycine 0 CA--C 1.532 1.143 0 C-N-CA 126.283 1.897 . . . . 0.0 117.737 175.278 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpt180 -154.26 89.54 1.29 Allowed 'General case' 0 N--CA 1.476 0.851 0 CA-C-N 119.917 1.858 . . . . 0.0 112.479 179.157 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.4 t -51.25 133.99 28.02 Favored 'General case' 0 CA--C 1.551 1.015 0 C-N-CA 125.009 1.323 . . . . 0.0 110.582 177.252 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 57.4 m -139.62 33.3 2.03 Favored 'General case' 0 N--CA 1.479 1.013 0 N-CA-C 115.753 1.76 . . . . 0.0 115.753 -172.49 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 20.1 mmt180 -126.81 141.8 51.72 Favored 'General case' 0 N--CA 1.483 1.199 0 O-C-N 120.939 -1.101 . . . . 0.0 112.296 176.593 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.4 tt0 -73.4 -34.97 65.8 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 125.18 1.392 . . . . 0.0 112.495 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 22.4 m-80 -119.15 62.71 0.79 Allowed 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 126.138 1.775 . . . . 0.0 109.322 -177.387 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.3 t -79.64 123.61 27.79 Favored 'General case' 0 CA--C 1.544 0.744 0 CA-C-O 122.578 1.18 . . . . 0.0 109.322 -175.276 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 62.6 pttt -132.86 8.73 4.14 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 128.02 2.528 . . . . 0.0 114.009 -171.092 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 24.1 m-85 -101.03 169.05 9.21 Favored 'General case' 0 CA--C 1.543 0.69 0 C-N-CA 126.316 1.846 . . . . 0.0 111.359 -179.105 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.3 tp -84.58 135.17 34.31 Favored 'General case' 0 CA--C 1.538 0.489 0 O-C-N 121.115 -0.99 . . . . 0.0 111.334 -177.396 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 19.1 m170 -101.68 104.63 36.07 Favored Pre-proline 0 CA--C 1.545 0.779 0 N-CA-C 106.918 -1.512 . . . . 0.0 106.918 172.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -83.89 152.05 12.85 Favored 'Trans proline' 0 CA--C 1.543 0.947 0 C-N-CA 122.481 2.12 . . . . 0.0 113.15 -178.263 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.75 162.29 41.88 Favored 'Trans proline' 0 CA--C 1.543 0.926 0 C-N-CA 123.262 2.642 . . . . 0.0 110.806 174.239 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 78.8 Cg_exo -42.85 -40.25 8.1 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 124.638 3.559 . . . . 0.0 116.781 -177.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 47.6 p-80 -67.17 -52.23 43.95 Favored 'General case' 0 N--CA 1.474 0.759 0 CA-C-N 119.421 1.009 . . . . 0.0 112.73 178.286 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 21.2 mt -66.19 -35.99 81.89 Favored 'General case' 0 N--CA 1.474 0.738 0 O-C-N 121.439 -0.788 . . . . 0.0 111.607 176.51 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 63.1 tttm -58.41 -46.54 86.23 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 125.45 1.5 . . . . 0.0 110.135 174.81 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.0 m -64.41 -42.66 95.94 Favored 'General case' 0 N--CA 1.47 0.56 0 C-N-CA 123.317 0.647 . . . . 0.0 111.269 176.475 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 90.8 mm-40 -62.12 -38.45 88.98 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 119.329 0.968 . . . . 0.0 111.192 177.098 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.84 -49.67 73.98 Favored 'General case' 0 CA--C 1.539 0.53 0 C-N-CA 123.848 0.859 . . . . 0.0 110.408 176.522 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 22.9 mm-40 -61.13 -39.19 89.08 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 121.608 -0.682 . . . . 0.0 112.094 178.182 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.6 mt -61.48 -46.35 96.76 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 C-N-CA 123.717 0.807 . . . . 0.0 110.196 175.586 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.7 m-80 -63.19 -41.61 99.21 Favored 'General case' 0 CA--C 1.541 0.621 0 CA-C-N 118.539 0.609 . . . . 0.0 111.231 176.746 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.63 -47.37 90.48 Favored Glycine 0 CA--C 1.531 1.062 0 C-N-CA 124.109 0.861 . . . . 0.0 112.098 176.572 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 67.9 mmt-85 -65.43 -42.95 91.9 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 123.983 0.913 . . . . 0.0 112.086 176.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 14.1 m-80 -60.35 -38.94 85.4 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-N 118.387 0.539 . . . . 0.0 111.793 175.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -67.03 -34.0 76.76 Favored 'General case' 0 CA--C 1.546 0.811 0 C-N-CA 123.391 0.676 . . . . 0.0 112.612 177.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.47 HD11 " H2'" ' B' ' 103' ' ' ' U' . 34.5 mt -68.5 -39.66 81.18 Favored 'General case' 0 N--CA 1.476 0.854 0 C-N-CA 123.41 0.684 . . . . 0.0 110.822 175.241 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.9 mt -66.63 -39.38 83.68 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.698 0 C-N-CA 124.287 1.035 . . . . 0.0 110.985 178.763 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 48.6 tt0 -158.1 124.15 4.66 Favored 'General case' 0 CA--C 1.54 0.573 0 C-N-CA 124.686 1.194 . . . . 0.0 110.759 178.697 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 56.1 tt0 -57.19 -34.07 68.12 Favored 'General case' 0 N--CA 1.478 0.964 0 N-CA-C 113.539 0.941 . . . . 0.0 113.539 179.854 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.5 ttmm -67.52 -18.42 65.03 Favored 'General case' 0 N--CA 1.48 1.07 0 C-N-CA 125.284 1.434 . . . . 0.0 112.997 176.108 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 16.1 t30 . . . . . 0 CA--C 1.538 0.517 0 C-N-CA 127.247 2.219 . . . . 0.0 109.899 -179.934 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.925 0 O4'-C1'-N19 110.613 2.413 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.227 0 O4'-C1'-N19 111.768 3.568 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 1 O4'-C1'-N19 114.467 6.267 . 0.417 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.357 0 O4'-C1'-N19 112.097 3.897 . 0.164 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.222 0 O4'-C1'-N19 111.416 3.216 . 0.664 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.286 2 O4'-C1'-N19 115.88 7.68 OUTLIER-DELTA 0.023 4b . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.581 0 O3'-P-O5' 98.775 -2.75 . 0.053 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.474 2 C3'-C2'-C1' 105.423 4.359 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.47 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.616 2.293 0 P-O3'-C3' 124.472 3.977 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.354 1 O4'-C1'-N19 112.647 4.447 . 0.461 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 112.018 3.818 . 0.107 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 1 O4'-C1'-N19 112.296 4.096 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.48 0 O4'-C1'-N19 111.038 2.838 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.33 1 O4'-C1'-N19 114.094 5.894 . 0.076 6p . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.537 2.1 0 O4'-C1'-N19 110.951 2.751 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 13.8 tpt . . . . . 0 CA--C 1.545 0.767 0 N-CA-C 113.018 0.747 . . . . 0.0 113.018 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.57 168.12 25.2 Favored 'General case' 0 CA--C 1.545 0.767 0 C-N-CA 125.925 1.69 . . . . 0.0 111.978 179.219 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 30.1 m -140.51 163.88 22.42 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.978 0 C-N-CA 126.072 1.749 . . . . 0.0 111.605 179.681 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 36.9 m -61.46 150.69 34.82 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 124.661 1.184 . . . . 0.0 112.938 179.31 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.5 m -140.83 158.7 23.77 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.997 0 C-N-CA 125.652 1.581 . . . . 0.0 111.443 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 24.0 m -62.51 132.93 94.53 Favored Pre-proline 0 N--CA 1.476 0.852 0 C-N-CA 124.206 1.002 . . . . 0.0 111.336 179.809 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.0 Cg_exo -55.72 159.51 11.3 Favored 'Trans proline' 0 CA--C 1.541 0.836 0 C-N-CA 123.863 3.042 . . . . 0.0 115.781 179.283 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.47 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -120.27 160.15 21.05 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.882 0 C-N-CA 127.724 2.41 . . . . 0.0 111.738 174.671 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.415 ' HB2' ' C2 ' ' B' ' 102' ' ' ' U' . 0.7 OUTLIER -130.01 -179.85 5.46 Favored 'General case' 0 N--CA 1.488 1.442 0 C-N-CA 125.887 1.675 . . . . 0.0 111.18 178.44 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -65.21 99.63 0.4 Allowed 'General case' 0 CA--C 1.545 0.761 0 CA-C-N 120.552 1.524 . . . . 0.0 114.887 -172.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 20.0 p -69.92 -14.53 62.76 Favored 'General case' 0 N--CA 1.476 0.856 0 O-C-N 119.936 -1.728 . . . . 0.0 114.533 179.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 29.0 mtpp -59.46 -28.91 67.41 Favored 'General case' 0 N--CA 1.478 0.931 0 C-N-CA 124.221 1.008 . . . . 0.0 113.403 179.076 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 9.0 p-90 -86.44 -16.55 36.83 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.009 -0.52 . . . . 0.0 112.165 175.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 85.5 mt -95.91 -14.42 23.15 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.79 1.636 . . . . 0.0 113.175 177.713 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.85 147.14 31.87 Favored 'General case' 0 N--CA 1.477 0.884 0 CA-C-N 120.418 1.463 . . . . 0.0 114.071 -179.063 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 76.3 mt -130.51 149.24 52.26 Favored 'General case' 0 N--CA 1.472 0.634 0 C-N-CA 127.032 2.133 . . . . 0.0 110.099 176.55 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 40.6 tt0 -85.95 139.18 31.43 Favored 'General case' 0 N--CA 1.469 0.475 0 C-N-CA 124.785 1.234 . . . . 0.0 113.943 -175.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 79.0 t -90.13 139.89 16.79 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.573 0 C-N-CA 125.825 1.65 . . . . 0.0 110.642 179.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 44.9 t -60.54 125.43 23.66 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 123.707 0.803 . . . . 0.0 111.206 179.241 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 6.8 mpt_? -64.0 -29.74 70.88 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.624 0.77 . . . . 0.0 112.868 -179.156 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 8.7 mm-40 -75.3 -37.25 60.93 Favored 'General case' 0 CA--C 1.541 0.623 0 CA-C-N 118.449 0.568 . . . . 0.0 110.136 174.426 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -64.83 -41.07 96.03 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 120.555 -1.341 . . . . 0.0 110.612 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.2 tt0 -60.06 -18.99 50.7 Favored 'General case' 0 CA--C 1.549 0.914 0 C-N-CA 125.967 1.707 . . . . 0.0 112.732 175.3 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 78.6 mtm-85 -111.29 0.07 16.58 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 126.707 2.003 . . . . 0.0 113.278 177.483 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.73 30.08 68.8 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 125.013 1.292 . . . . 0.0 114.752 179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.9 p -119.88 -7.85 9.92 Favored 'General case' 0 N--CA 1.48 1.074 0 N-CA-C 115.408 1.633 . . . . 0.0 115.408 -176.536 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.7 t -70.91 146.54 49.49 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-N 119.599 1.09 . . . . 0.0 111.36 177.404 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 70.8 m -139.93 59.79 1.57 Allowed 'General case' 0 N--CA 1.475 0.806 0 C-N-CA 124.948 1.299 . . . . 0.0 111.916 -179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.6 mmt-85 -150.45 150.44 28.88 Favored Pre-proline 0 N--CA 1.478 0.935 0 C-N-CA 126.93 2.092 . . . . 0.0 110.093 177.728 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 98.1 Cg_endo -73.13 151.22 49.23 Favored 'Trans proline' 0 CA--C 1.536 0.582 0 C-N-CA 122.175 1.917 . . . . 0.0 110.36 177.403 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.7 t70 -51.69 -34.0 36.56 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.455 1.102 . . . . 0.0 112.709 177.895 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.8 m -64.61 -23.25 67.2 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 126.423 1.889 . . . . 0.0 114.42 179.51 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 45.8 mt-10 -120.0 -20.97 7.28 Favored 'General case' 0 N--CA 1.475 0.818 0 N-CA-C 114.12 1.155 . . . . 0.0 114.12 -177.269 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -69.68 146.6 51.47 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 118.814 0.734 . . . . 0.0 110.345 177.109 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -66.39 -10.16 40.84 Favored 'General case' 0 N--CA 1.48 1.056 0 N-CA-C 115.705 1.743 . . . . 0.0 115.705 -177.655 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.2 m-85 -136.58 -179.95 6.0 Favored 'General case' 0 CA--C 1.546 0.808 0 C-N-CA 126.507 1.923 . . . . 0.0 111.549 -179.016 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 146.87 24.17 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 123.977 0.911 . . . . 0.0 113.195 -176.095 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 56.5 m170 -120.11 74.43 21.03 Favored Pre-proline 0 CA--C 1.552 1.045 0 C-N-CA 127.107 2.163 . . . . 0.0 109.823 177.637 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -70.4 165.11 32.76 Favored 'Trans proline' 0 CA--C 1.539 0.76 0 C-N-CA 123.968 3.112 . . . . 0.0 114.724 -176.7 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 64.9 m -105.45 168.44 9.08 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 125.928 1.691 . . . . 0.0 110.582 176.885 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 57.7 mtmt -55.58 -25.44 38.28 Favored 'General case' 0 N--CA 1.483 1.22 0 N-CA-C 114.896 1.443 . . . . 0.0 114.896 -179.108 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -77.17 -14.82 59.72 Favored 'General case' 0 N--CA 1.474 0.751 0 C-N-CA 125.357 1.463 . . . . 0.0 114.09 178.411 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.3 m -81.13 158.75 24.88 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 124.206 1.002 . . . . 0.0 112.661 -179.913 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 61.7 mm-40 -80.54 51.08 1.4 Allowed 'General case' 0 N--CA 1.478 0.938 0 C-N-CA 124.501 1.121 . . . . 0.0 112.411 177.59 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.1 t -67.13 118.91 11.75 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 125.062 1.345 . . . . 0.0 111.222 -178.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.2 tp10 -153.39 138.96 17.77 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 124.503 1.121 . . . . 0.0 110.878 179.263 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 44.91 34.5 1.24 Allowed 'General case' 0 CA--C 1.555 1.137 0 C-N-CA 126.022 1.729 . . . . 0.0 114.97 179.405 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 74.93 24.42 72.0 Favored Glycine 0 CA--C 1.539 1.542 0 O-C-N 120.868 -1.145 . . . . 0.0 114.617 -178.822 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 89.1 mmt-85 -136.0 160.05 39.82 Favored 'General case' 0 N--CA 1.475 0.807 0 C-N-CA 127.373 2.269 . . . . 0.0 110.702 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.76 140.01 21.54 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.823 0 C-N-CA 124.599 1.16 . . . . 0.0 109.006 174.122 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 84.0 mt -77.5 126.66 38.13 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.508 -1.293 . . . . 0.0 107.508 173.151 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.0 152.11 24.63 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.451 0.7 . . . . 0.0 112.241 179.239 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.1 t -72.97 110.21 7.1 Favored 'General case' 0 CA--C 1.545 0.762 0 C-N-CA 125.126 1.37 . . . . 0.0 110.43 179.261 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.1 t80 -58.47 -40.24 82.17 Favored 'General case' 0 N--CA 1.471 0.613 0 O-C-N 121.196 -0.94 . . . . 0.0 111.666 179.089 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.3 m-20 -62.89 -39.74 95.41 Favored 'General case' 0 CA--C 1.547 0.835 0 O-C-N 121.711 -0.618 . . . . 0.0 111.31 177.199 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.9 t -68.81 -40.22 79.66 Favored 'General case' 0 N--CA 1.472 0.639 0 O-C-N 121.055 -1.028 . . . . 0.0 111.681 174.343 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 70.3 mt -60.71 -33.01 72.24 Favored 'General case' 0 CA--C 1.544 0.75 0 O-C-N 121.168 -0.957 . . . . 0.0 111.188 175.004 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 11.5 tppt? -78.04 -6.95 56.18 Favored 'General case' 0 CA--C 1.547 0.863 0 C-N-CA 126.091 1.757 . . . . 0.0 112.466 174.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 10.86 64.09 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 127.026 2.251 . . . . 0.0 117.006 177.157 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 22.8 tpp180 -156.34 93.97 1.45 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.133 1.466 . . . . 0.0 111.447 177.194 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.5 t -56.28 139.48 48.02 Favored 'General case' 0 CA--C 1.553 1.09 0 C-N-CA 124.723 1.209 . . . . 0.0 110.348 176.362 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 63.6 m -136.94 19.93 3.02 Favored 'General case' 0 N--CA 1.483 1.186 0 N-CA-C 115.991 1.849 . . . . 0.0 115.991 -174.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -97.42 138.54 34.71 Favored 'General case' 0 N--CA 1.482 1.131 0 O-C-N 120.68 -1.262 . . . . 0.0 111.937 178.637 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -61.12 -35.78 77.96 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 125.74 1.616 . . . . 0.0 111.72 178.49 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 29.5 t30 -147.0 92.76 2.17 Favored 'General case' 0 CA--C 1.539 0.52 0 C-N-CA 127.087 2.155 . . . . 0.0 106.973 176.781 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 31.7 t -79.84 138.05 37.1 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 124.767 1.227 . . . . 0.0 110.805 -175.789 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.05 19.58 3.77 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 115.6 1.704 . . . . 0.0 115.6 -174.627 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 23.8 m-85 -115.58 170.09 8.69 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 126.365 1.866 . . . . 0.0 111.331 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.7 tp -84.67 135.16 34.28 Favored 'General case' 0 CA--C 1.54 0.589 0 O-C-N 120.931 -1.106 . . . . 0.0 111.964 -177.511 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.0 m170 -101.33 104.71 35.27 Favored Pre-proline 0 CA--C 1.549 0.905 0 N-CA-C 107.453 -1.314 . . . . 0.0 107.453 174.021 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_endo -82.25 153.01 16.18 Favored 'Trans proline' 0 CA--C 1.543 0.954 0 C-N-CA 122.617 2.212 . . . . 0.0 114.566 -176.472 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.0 Cg_endo -74.74 161.1 39.99 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 124.0 3.134 . . . . 0.0 110.177 174.99 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.3 Cg_exo -44.39 -43.14 13.8 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.13 3.22 . . . . 0.0 116.733 -178.146 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.0 p-80 -65.16 -43.83 90.52 Favored 'General case' 0 N--CA 1.475 0.79 0 CA-C-N 119.259 0.936 . . . . 0.0 113.121 179.578 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 7.0 tp -76.66 -32.33 57.88 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.596 0.758 . . . . 0.0 110.989 178.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.5 ttmt -62.29 -37.49 85.72 Favored 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 125.262 1.425 . . . . 0.0 110.406 173.196 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -64.88 -43.4 93.04 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.298 0.639 . . . . 0.0 110.512 174.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.3 tp60 -61.97 -36.08 80.4 Favored 'General case' 0 CA--C 1.542 0.645 0 O-C-N 121.069 -1.019 . . . . 0.0 110.822 175.471 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -65.13 -50.38 66.26 Favored 'General case' 0 CA--C 1.537 0.443 0 C-N-CA 123.497 0.719 . . . . 0.0 111.155 176.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.4 pt-20 -63.79 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.888 1.222 . . . . 0.0 112.648 178.83 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 73.0 mt -64.01 -44.06 97.73 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.84 0 O-C-N 121.499 -0.751 . . . . 0.0 109.485 173.235 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -65.21 -39.31 92.63 Favored 'General case' 0 CA--C 1.542 0.642 0 O-C-N 121.533 -0.73 . . . . 0.0 110.594 175.077 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.02 -50.81 63.58 Favored Glycine 0 C--N 1.337 0.638 0 C-N-CA 124.861 1.219 . . . . 0.0 111.684 178.522 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -51.51 -52.03 50.19 Favored 'General case' 0 N--CA 1.476 0.847 0 C-N-CA 125.647 1.579 . . . . 0.0 112.426 177.049 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.7 t-20 -62.02 -31.06 71.41 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.312 0.645 . . . . 0.0 111.989 176.386 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 5.3 t30 -74.77 -16.4 60.72 Favored 'General case' 0 CA--C 1.548 0.896 0 N-CA-C 113.837 1.051 . . . . 0.0 113.837 177.866 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -63.87 -34.55 78.18 Favored 'General case' 0 N--CA 1.483 1.217 0 CA-C-N 120.682 1.583 . . . . 0.0 109.625 172.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.5 mp -64.38 -34.58 70.21 Favored 'Isoleucine or valine' 0 CA--C 1.546 0.803 0 C-N-CA 125.003 1.321 . . . . 0.0 109.274 177.21 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 -79.84 65.05 4.88 Favored 'General case' 0 CA--C 1.549 0.91 0 C-N-CA 126.253 1.821 . . . . 0.0 110.37 174.847 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 -49.95 -21.82 1.33 Allowed 'General case' 0 N--CA 1.477 0.898 0 C-N-CA 127.211 2.204 . . . . 0.0 115.267 -178.286 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 29.1 tptp -55.25 -26.53 40.45 Favored 'General case' 0 N--CA 1.476 0.866 0 C-N-CA 125.485 1.514 . . . . 0.0 113.373 176.703 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 33.0 t30 . . . . . 0 CA--C 1.549 0.908 0 C-N-CA 124.743 1.217 . . . . 0.0 111.95 177.688 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.178 1 O4'-C1'-N19 114.896 6.696 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.489 1 O4'-C1'-N19 112.658 4.458 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.904 0 C3'-C2'-C1' 104.441 3.268 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.829 1 O4'-C1'-N19 113.033 4.833 . 0.091 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.561 0 O4'-C1'-N19 110.823 2.623 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.597 0 O5'-C5'-C4' 115.277 3.626 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.939 1 P-O3'-C3' 129.301 8.0 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.415 ' C2 ' ' HB2' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.515 2 O4'-C1'-N19 112.587 4.387 . 0.019 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.312 0 P-O3'-C3' 123.477 3.148 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.585 0 O4'-C1'-C2' 102.575 -2.732 . 0.397 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 112.21 4.01 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 O4'-C1'-N19 110.931 2.731 . 0.162 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.536 2.01 1 O4'-C1'-N19 112.359 4.159 . 0.554 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.845 0 C1'-O4'-C4' 106.567 -3.37 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O3'-P-O5' 99.851 -2.184 . 0.371 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.5 ptt? . . . . . 0 CA--C 1.544 0.738 0 N-CA-C 114.072 1.138 . . . . 0.0 114.072 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.22 166.87 28.57 Favored 'General case' 0 CA--C 1.544 0.747 0 C-N-CA 125.966 1.706 . . . . 0.0 111.974 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.9 m -140.37 163.51 23.19 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.994 0 C-N-CA 125.946 1.699 . . . . 0.0 111.643 179.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.7 t -152.61 175.57 12.65 Favored 'General case' 0 N--CA 1.474 0.731 0 C-N-CA 125.268 1.427 . . . . 0.0 111.569 178.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.04 157.83 4.4 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.895 0 C-N-CA 125.442 1.497 . . . . 0.0 113.194 179.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.7 m -62.45 131.52 93.96 Favored Pre-proline 0 N--CA 1.477 0.883 0 C-N-CA 124.745 1.218 . . . . 0.0 111.091 179.444 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 79.3 Cg_endo -71.19 165.8 31.26 Favored 'Trans proline' 0 CA--C 1.541 0.874 0 C-N-CA 123.174 2.583 . . . . 0.0 112.848 179.765 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 9.0 tp -120.12 160.03 20.92 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.788 0 C-N-CA 125.726 1.61 . . . . 0.0 111.73 178.244 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -145.41 156.91 44.05 Favored 'General case' 0 N--CA 1.475 0.798 0 C-N-CA 127.345 2.258 . . . . 0.0 111.242 -179.668 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.1 t0 -155.99 100.03 2.01 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 124.721 1.208 . . . . 0.0 111.189 179.538 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -60.18 -17.18 39.17 Favored 'General case' 0 N--CA 1.481 1.076 0 N-CA-C 115.405 1.631 . . . . 0.0 115.405 -178.482 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 39.2 ttpt -50.46 -32.85 19.14 Favored 'General case' 0 N--CA 1.477 0.877 0 C-N-CA 126.053 1.741 . . . . 0.0 114.879 179.724 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 47.6 p-90 -86.42 -25.08 25.44 Favored 'General case' 0 N--CA 1.473 0.705 0 CA-C-N 118.749 0.704 . . . . 0.0 112.325 177.167 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 47.2 mt -82.94 -17.75 42.49 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.285 1.434 . . . . 0.0 112.653 175.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.7 p -79.84 144.29 33.61 Favored 'General case' 0 N--CA 1.476 0.844 0 N-CA-C 114.664 1.357 . . . . 0.0 114.664 -177.322 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 70.1 mt -133.47 136.35 45.08 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 127.088 2.155 . . . . 0.0 109.398 175.6 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.8 mt-10 -64.66 143.71 57.73 Favored 'General case' 0 N--CA 1.475 0.779 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -177.251 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.0 t -85.74 140.05 16.5 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.738 0 C-N-CA 126.216 1.806 . . . . 0.0 109.78 176.718 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.5 t -61.29 126.52 27.64 Favored 'General case' 0 CA--C 1.545 0.755 0 C-N-CA 124.231 1.013 . . . . 0.0 112.092 -179.847 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 43.0 ttm180 -59.41 -41.09 88.7 Favored 'General case' 0 N--CA 1.473 0.718 0 C-N-CA 124.29 1.036 . . . . 0.0 111.544 179.229 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 3.7 mp0 -72.54 -28.94 63.15 Favored 'General case' 0 CA--C 1.542 0.647 0 C-N-CA 123.342 0.657 . . . . 0.0 111.582 178.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -69.84 -43.46 71.89 Favored 'General case' 0 N--CA 1.469 0.511 0 O-C-N 120.935 -1.103 . . . . 0.0 110.012 174.385 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 60.1 tt0 -61.4 -38.99 89.08 Favored 'General case' 0 CA--C 1.545 0.783 0 C-N-CA 124.219 1.008 . . . . 0.0 111.02 175.135 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.0 ttp180 -72.51 -18.02 61.69 Favored 'General case' 0 N--CA 1.478 0.935 0 C-N-CA 125.46 1.504 . . . . 0.0 113.033 176.133 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.97 31.73 38.41 Favored Glycine 0 CA--C 1.536 1.384 0 C-N-CA 125.196 1.379 . . . . 0.0 113.976 -179.143 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 76.4 p -123.4 -16.88 6.71 Favored 'General case' 0 N--CA 1.479 1.017 0 N-CA-C 115.097 1.517 . . . . 0.0 115.097 -177.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.3 t -64.41 143.36 57.96 Favored 'General case' 0 CA--C 1.549 0.913 0 CA-C-N 119.73 1.15 . . . . 0.0 111.559 178.882 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.0 p -140.12 59.7 1.56 Allowed 'General case' 0 N--CA 1.474 0.734 0 C-N-CA 124.728 1.211 . . . . 0.0 112.82 -179.351 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 86.5 mmt-85 -148.49 151.6 36.63 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.536 1.935 . . . . 0.0 110.379 177.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_endo -73.22 155.97 51.38 Favored 'Trans proline' 0 CA--C 1.537 0.631 0 C-N-CA 122.186 1.924 . . . . 0.0 110.759 177.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.1 t70 -52.63 -32.31 41.13 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.292 1.037 . . . . 0.0 112.347 177.057 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.2 m -64.79 -23.75 67.34 Favored 'General case' 0 N--CA 1.466 0.355 0 C-N-CA 127.419 2.288 . . . . 0.0 114.866 178.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.2 mt-10 -120.15 -19.61 7.69 Favored 'General case' 0 N--CA 1.474 0.772 0 N-CA-C 114.19 1.181 . . . . 0.0 114.19 -176.568 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.6 t -71.04 162.91 28.61 Favored 'General case' 0 CA--C 1.552 1.021 0 CA-C-O 122.063 0.935 . . . . 0.0 112.359 178.726 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.1 pttm -76.82 -14.95 59.86 Favored 'General case' 0 N--CA 1.477 0.918 0 C-N-CA 125.913 1.685 . . . . 0.0 114.483 -179.376 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -142.19 -179.82 6.47 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 127.189 2.195 . . . . 0.0 111.449 -177.492 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.76 148.62 23.14 Favored 'General case' 0 CA--C 1.544 0.727 0 N-CA-C 114.071 1.138 . . . . 0.0 114.071 -174.986 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.6 m170 -120.07 79.16 25.68 Favored Pre-proline 0 CA--C 1.552 1.047 0 C-N-CA 127.062 2.145 . . . . 0.0 110.7 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 56.8 Cg_endo -67.13 165.15 27.48 Favored 'Trans proline' 0 C--N 1.35 0.635 0 C-N-CA 124.036 3.157 . . . . 0.0 114.926 -178.183 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.3 p -105.48 172.11 6.97 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 125.87 1.668 . . . . 0.0 111.061 176.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 85.5 tttt -59.7 -24.64 64.13 Favored 'General case' 0 N--CA 1.478 0.969 0 C-N-CA 124.166 0.986 . . . . 0.0 112.821 176.177 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 41.8 m -89.41 -12.4 40.4 Favored 'General case' 0 N--CA 1.472 0.659 0 C-N-CA 125.606 1.562 . . . . 0.0 114.365 179.648 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.4 m -73.5 142.67 46.75 Favored 'General case' 0 CA--C 1.541 0.634 0 CA-C-N 119.63 1.104 . . . . 0.0 112.242 179.372 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 70.5 mt-30 -80.53 59.63 3.61 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.19 0.996 . . . . 0.0 111.443 175.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 13.2 t -65.09 138.01 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 C-N-CA 125.477 1.511 . . . . 0.0 109.941 178.625 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -152.31 139.7 19.52 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.736 1.214 . . . . 0.0 112.188 179.722 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 54.9 t30 42.12 37.38 0.85 Allowed 'General case' 0 CA--C 1.554 1.127 0 C-N-CA 126.132 1.773 . . . . 0.0 115.453 179.841 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 80.28 16.06 77.11 Favored Glycine 0 CA--C 1.537 1.458 0 O-C-N 120.932 -1.105 . . . . 0.0 115.277 -179.131 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.21 162.09 30.76 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 126.89 2.076 . . . . 0.0 111.065 179.552 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -125.59 137.59 57.17 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.761 0 N-CA-C 107.47 -1.307 . . . . 0.0 107.47 173.79 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 64.6 mt -76.61 130.02 36.67 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.655 0 N-CA-C 107.169 -1.419 . . . . 0.0 107.169 175.347 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -80.51 149.9 29.85 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 123.956 0.903 . . . . 0.0 112.645 -179.769 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 7.8 t -75.31 100.48 4.4 Favored 'General case' 0 CA--C 1.55 0.967 0 C-N-CA 125.727 1.611 . . . . 0.0 109.358 178.501 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.42 ' CZ ' ' HE2' ' A' ' 58' ' ' LYS . 87.0 t80 -52.49 -42.78 64.56 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 124.904 1.282 . . . . 0.0 112.786 -177.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -63.18 -32.83 74.32 Favored 'General case' 0 CA--C 1.546 0.827 0 O-C-N 121.705 -0.622 . . . . 0.0 111.798 177.257 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 18.8 t -71.94 -35.04 69.49 Favored 'General case' 0 N--CA 1.47 0.569 0 O-C-N 121.257 -0.902 . . . . 0.0 111.431 174.469 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 65.9 mt -58.32 -32.97 69.0 Favored 'General case' 0 N--CA 1.477 0.917 0 O-C-N 121.121 -0.987 . . . . 0.0 111.645 174.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.42 ' HE2' ' CZ ' ' A' ' 54' ' ' PHE . 66.3 mttm -83.83 -0.36 50.82 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.718 1.607 . . . . 0.0 113.376 176.3 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 84.4 8.85 82.75 Favored Glycine 0 CA--C 1.534 1.263 0 C-N-CA 125.693 1.616 . . . . 0.0 116.038 177.384 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -150.84 89.08 1.51 Allowed 'General case' 0 N--CA 1.475 0.803 0 CA-C-N 119.23 1.515 . . . . 0.0 111.622 -179.687 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.7 t -57.97 137.27 56.93 Favored 'General case' 0 CA--C 1.548 0.869 0 C-N-CA 124.986 1.314 . . . . 0.0 109.364 175.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 94.0 p -141.71 19.78 2.17 Favored 'General case' 0 N--CA 1.478 0.967 0 N-CA-C 116.845 2.165 . . . . 0.0 116.845 -175.468 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 6.0 mmp_? -84.89 162.32 19.52 Favored 'General case' 0 N--CA 1.48 1.062 0 O-C-N 121.097 -1.002 . . . . 0.0 109.399 171.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -66.01 -41.25 91.27 Favored 'General case' 0 N--CA 1.478 0.975 0 O-C-N 121.296 -0.878 . . . . 0.0 110.918 177.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 37.0 t30 -161.93 100.35 1.12 Allowed 'General case' 0 CA--C 1.545 0.768 0 C-N-CA 128.161 2.585 . . . . 0.0 107.543 176.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 26.6 p -79.69 152.09 30.12 Favored 'General case' 0 CA--C 1.547 0.831 0 CA-C-O 123.522 1.63 . . . . 0.0 113.69 -173.813 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 42.1 pttt -118.78 27.75 8.71 Favored 'General case' 0 N--CA 1.476 0.831 0 C-N-CA 128.704 2.802 . . . . 0.0 112.607 -173.573 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 27.8 m-85 -129.61 168.75 15.97 Favored 'General case' 0 CA--C 1.54 0.559 0 C-N-CA 126.342 1.857 . . . . 0.0 113.181 -174.071 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 35.3 tp -84.77 135.14 34.25 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.524 1.13 . . . . 0.0 111.824 -179.138 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -97.98 104.78 23.83 Favored Pre-proline 0 CA--C 1.548 0.877 0 N-CA-C 106.357 -1.72 . . . . 0.0 106.357 170.868 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 84.1 Cg_endo -80.99 149.46 17.65 Favored 'Trans proline' 0 CA--C 1.544 1.01 0 C-N-CA 122.292 1.995 . . . . 0.0 113.415 -176.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 82.8 Cg_endo -69.69 161.25 46.65 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.173 2.582 . . . . 0.0 110.514 174.124 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 90.9 Cg_exo -42.92 -42.18 9.07 Favored 'Trans proline' 0 CA--C 1.538 0.692 0 C-N-CA 124.449 3.432 . . . . 0.0 117.025 -177.213 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 46.4 p-80 -66.02 -47.39 74.59 Favored 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.385 0.993 . . . . 0.0 113.039 178.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 48.4 mt -71.28 -34.48 70.7 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.529 -0.732 . . . . 0.0 111.34 175.72 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 38.7 ttmt -60.54 -43.32 97.33 Favored 'General case' 0 N--CA 1.473 0.681 0 C-N-CA 124.765 1.226 . . . . 0.0 110.526 175.712 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.1 m -63.51 -43.05 98.3 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 123.474 0.709 . . . . 0.0 110.84 175.354 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 23.1 tp60 -61.99 -37.22 84.01 Favored 'General case' 0 CA--C 1.54 0.589 0 CA-C-N 118.898 0.772 . . . . 0.0 111.073 176.581 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -64.07 -48.81 74.76 Favored 'General case' 0 CA--C 1.538 0.482 0 C-N-CA 124.306 1.042 . . . . 0.0 110.37 176.217 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -59.13 -39.26 81.79 Favored 'General case' 0 N--CA 1.47 0.574 0 O-C-N 121.538 -0.727 . . . . 0.0 111.495 177.774 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 80.0 mt -63.08 -46.01 97.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.594 0.757 . . . . 0.0 110.141 175.121 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.2 OUTLIER -62.2 -39.81 93.99 Favored 'General case' 0 CA--C 1.541 0.604 0 O-C-N 121.659 -0.65 . . . . 0.0 111.157 177.092 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -64.5 -56.52 16.86 Favored Glycine 0 CA--C 1.527 0.788 0 C-N-CA 124.513 1.054 . . . . 0.0 110.985 178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.0 mmt180 -52.52 -45.16 66.14 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.569 1.148 . . . . 0.0 112.206 177.37 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -61.23 -42.45 98.63 Favored 'General case' 0 CA--C 1.543 0.679 0 C-N-CA 122.947 0.499 . . . . 0.0 111.27 175.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 51.1 t30 -67.57 -30.45 70.07 Favored 'General case' 0 CA--C 1.549 0.926 0 CA-C-O 118.039 -0.981 . . . . 0.0 113.612 178.379 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.85 -40.19 95.99 Favored 'General case' 0 N--CA 1.482 1.143 0 CA-C-N 120.686 1.585 . . . . 0.0 109.757 173.259 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.6 mt -70.82 -39.47 75.52 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.786 0 C-N-CA 123.931 0.892 . . . . 0.0 110.276 178.411 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 5.8 tp-100 -77.27 46.78 0.52 Allowed 'General case' 0 CA--C 1.548 0.866 0 C-N-CA 126.546 1.938 . . . . 0.0 112.207 177.36 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 4.3 pt20 -50.19 -21.74 1.44 Allowed 'General case' 0 CA--C 1.545 0.782 0 C-N-CA 128.236 2.615 . . . . 0.0 115.456 -179.78 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 11.6 mmpt? -63.28 -26.15 68.64 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 125.253 1.421 . . . . 0.0 112.734 175.759 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 39.2 t30 . . . . . 0 CA--C 1.544 0.749 0 C-N-CA 125.191 1.396 . . . . 0.0 112.103 178.905 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.223 0 C4'-C3'-C2' 99.971 -2.729 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.456 1 O4'-C1'-N19 112.705 4.505 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.129 0 O4'-C1'-N19 111.062 2.862 . 0.664 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 0 O3'-P-O5' 99.68 -2.273 . 0.643 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.795 0 O4'-C1'-N19 111.293 3.093 . 0.781 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.123 1 O4'-C1'-N19 114.588 6.388 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.402 0 O4'-C1'-N19 112.06 3.86 . 0.501 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 111.906 3.706 . 0.026 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.332 0 O4'-C1'-N19 112.076 3.876 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.881 0 C5'-C4'-O4' 113.611 3.151 . 0.279 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.517 0 O3'-P-O5' 98.971 -2.647 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.541 2 C1'-O4'-C4' 104.837 -5.292 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 1 O4'-C1'-N19 112.619 4.419 . 0.013 6g . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.342 0 O4'-C1'-N19 111.001 2.801 . 0.36 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.429 0 O4'-C1'-N19 110.811 2.611 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 CA--C 1.545 0.779 0 N-CA-C 112.741 0.645 . . . . 0.0 112.741 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.69 12.66 2.72 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 125.803 1.641 . . . . 0.0 113.582 -179.595 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.3 m -140.41 163.51 23.08 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.02 0 C-N-CA 126.26 1.824 . . . . 0.0 111.593 -179.562 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 41.7 m -144.11 160.73 40.41 Favored 'General case' 0 N--CA 1.477 0.885 0 C-N-CA 125.284 1.434 . . . . 0.0 111.861 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.2 m -67.23 159.58 4.74 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.975 0 C-N-CA 124.447 1.099 . . . . 0.0 112.727 178.559 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.3 m -62.5 132.95 94.52 Favored Pre-proline 0 N--CA 1.476 0.84 0 C-N-CA 124.617 1.167 . . . . 0.0 111.488 179.409 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.1 Cg_exo -53.82 158.3 8.8 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 123.889 3.059 . . . . 0.0 114.937 178.42 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 10.0 tt -120.12 158.53 22.04 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.699 0 C-N-CA 124.832 1.253 . . . . 0.0 113.348 177.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.3 mtt85 -146.36 -179.98 7.12 Favored 'General case' 0 N--CA 1.476 0.852 0 C-N-CA 129.375 3.07 . . . . 0.0 109.716 -179.392 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 12.1 t70 -154.23 99.93 2.26 Favored 'General case' 0 N--CA 1.473 0.692 0 CA-C-N 119.324 0.966 . . . . 0.0 113.028 178.606 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.1 p -63.26 -18.78 63.94 Favored 'General case' 0 N--CA 1.478 0.971 0 O-C-N 120.118 -1.613 . . . . 0.0 114.221 178.109 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 37.2 ttpt -60.79 -35.51 76.64 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.183 0.993 . . . . 0.0 113.076 179.414 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 14.8 p-90 -76.81 -17.16 59.19 Favored 'General case' 0 CA--C 1.541 0.628 0 CA-C-N 118.888 0.767 . . . . 0.0 112.072 176.188 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 50.0 mt -94.7 -17.0 22.62 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 125.54 1.536 . . . . 0.0 113.493 177.386 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.75 144.74 33.35 Favored 'General case' 0 N--CA 1.48 1.045 0 CA-C-N 120.774 1.624 . . . . 0.0 113.559 -178.817 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 31.2 mt -130.63 144.78 51.66 Favored 'General case' 0 N--CA 1.471 0.622 0 C-N-CA 126.251 1.82 . . . . 0.0 109.31 175.136 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 39.2 mt-10 -82.7 142.88 31.32 Favored 'General case' 0 CA--C 1.536 0.431 0 N-CA-C 113.67 0.989 . . . . 0.0 113.67 -175.609 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 58.8 t -87.37 140.06 16.37 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 125.914 1.686 . . . . 0.0 110.103 177.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.9 t -58.37 128.45 37.21 Favored 'General case' 0 CA--C 1.545 0.77 0 C-N-CA 124.006 0.922 . . . . 0.0 112.595 179.983 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.0 mmm180 -59.65 -33.44 71.55 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 124.513 1.125 . . . . 0.0 112.828 -179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.1 mt-10 -79.92 -30.88 40.12 Favored 'General case' 0 CA--C 1.54 0.591 0 C-N-CA 123.565 0.746 . . . . 0.0 111.377 176.599 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -65.83 -39.19 90.58 Favored 'General case' 0 CA--C 1.54 0.584 0 O-C-N 120.709 -1.244 . . . . 0.0 110.507 174.656 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 74.3 mt-30 -62.01 -16.27 50.41 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.605 1.162 . . . . 0.0 113.367 174.538 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -111.52 0.08 16.35 Favored 'General case' 0 N--CA 1.479 0.996 0 C-N-CA 126.719 2.008 . . . . 0.0 112.653 178.483 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.35 21.97 77.5 Favored Glycine 0 CA--C 1.537 1.41 0 C-N-CA 124.957 1.265 . . . . 0.0 114.744 -179.893 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 32.5 p -104.2 -23.66 13.23 Favored 'General case' 0 N--CA 1.477 0.916 0 CA-C-N 118.714 1.257 . . . . 0.0 114.03 -178.276 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.7 t -69.56 130.83 43.52 Favored 'General case' 0 CA--C 1.547 0.842 0 CA-C-N 119.458 1.027 . . . . 0.0 109.545 175.822 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.9 m -137.28 59.78 1.67 Allowed 'General case' 0 N--CA 1.477 0.881 0 C-N-CA 124.034 0.934 . . . . 0.0 112.568 -177.527 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 22.8 mmm180 -151.62 155.46 34.12 Favored Pre-proline 0 N--CA 1.479 1.004 0 C-N-CA 127.825 2.45 . . . . 0.0 109.46 177.088 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 69.6 Cg_endo -69.25 153.27 71.51 Favored 'Trans proline' 0 CA--C 1.536 0.618 0 C-N-CA 122.179 1.919 . . . . 0.0 111.163 178.553 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -55.09 -28.7 54.47 Favored 'General case' 0 N--CA 1.475 0.788 0 C-N-CA 124.032 0.933 . . . . 0.0 113.409 178.098 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 7.9 m -65.5 -31.87 73.17 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 124.69 1.196 . . . . 0.0 112.423 176.67 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -87.54 -37.56 16.77 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.683 1.193 . . . . 0.0 111.359 177.811 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 2.8 t -70.05 170.07 12.14 Favored 'General case' 0 CA--C 1.55 0.974 0 C-N-CA 124.658 1.183 . . . . 0.0 113.072 -179.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 64.3 pttt -95.5 -5.57 42.56 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 125.657 1.583 . . . . 0.0 114.401 -179.041 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 30.9 m-85 -138.51 -179.96 6.11 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.702 2.001 . . . . 0.0 111.277 -179.685 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 147.06 23.99 Favored 'General case' 0 CA--C 1.546 0.803 0 O-C-N 121.366 -0.834 . . . . 0.0 112.992 -176.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.08 77.67 24.28 Favored Pre-proline 0 CA--C 1.551 1.0 0 C-N-CA 126.391 1.876 . . . . 0.0 110.025 177.753 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 63.1 Cg_endo -67.09 165.14 27.46 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.151 3.234 . . . . 0.0 114.298 -177.902 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.5 m -105.4 167.84 9.48 Favored 'General case' 0 N--CA 1.468 0.467 0 C-N-CA 125.872 1.669 . . . . 0.0 110.776 178.552 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 65.0 pttt -55.7 -25.98 42.71 Favored 'General case' 0 N--CA 1.481 1.104 0 N-CA-C 114.882 1.438 . . . . 0.0 114.882 179.48 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.3 m -82.08 -21.65 36.72 Favored 'General case' 0 N--CA 1.472 0.663 0 C-N-CA 125.27 1.428 . . . . 0.0 113.486 178.494 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 77.5 m -69.08 141.51 54.72 Favored 'General case' 0 CA--C 1.537 0.453 0 O-C-N 121.454 -0.779 . . . . 0.0 110.374 178.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 80.6 mm-40 -82.2 58.06 3.85 Favored 'General case' 0 CA--C 1.543 0.706 0 CA-C-O 122.149 0.975 . . . . 0.0 111.966 178.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.8 t -60.84 134.4 26.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 126.503 1.921 . . . . 0.0 110.201 179.216 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 63.2 tt0 -150.13 129.75 13.13 Favored 'General case' 0 CA--C 1.541 0.611 0 C-N-CA 124.409 1.084 . . . . 0.0 112.051 -177.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.7 t30 44.21 38.0 2.18 Favored 'General case' 0 CA--C 1.554 1.103 0 C-N-CA 126.106 1.763 . . . . 0.0 115.381 178.277 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 83.1 11.14 81.63 Favored Glycine 0 CA--C 1.537 1.413 0 N-CA-C 115.678 1.031 . . . . 0.0 115.678 179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.1 mpt_? -134.95 166.4 23.1 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 126.257 1.823 . . . . 0.0 110.998 179.676 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -144.65 139.44 23.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 N-CA-C 108.045 -1.094 . . . . 0.0 108.045 175.021 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 67.0 mt -74.89 126.0 35.12 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.763 -1.569 . . . . 0.0 106.763 174.059 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.1 152.1 26.71 Favored 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 123.565 0.746 . . . . 0.0 112.541 -179.591 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 47.3 t -71.0 110.47 5.71 Favored 'General case' 0 CA--C 1.547 0.836 0 C-N-CA 124.917 1.287 . . . . 0.0 110.934 179.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 40.3 t80 -59.43 -40.28 86.24 Favored 'General case' 0 N--CA 1.471 0.596 0 C-N-CA 124.901 1.28 . . . . 0.0 111.608 179.195 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 70.7 m-20 -65.31 -42.99 92.45 Favored 'General case' 0 CA--C 1.547 0.837 0 O-C-N 121.776 -0.577 . . . . 0.0 111.182 177.407 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 19.8 t -66.58 -37.89 85.89 Favored 'General case' 0 N--CA 1.471 0.622 0 O-C-N 121.282 -0.886 . . . . 0.0 111.942 175.118 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.2 mt -60.57 -33.03 72.11 Favored 'General case' 0 N--CA 1.472 0.642 0 C-N-CA 124.56 1.144 . . . . 0.0 112.16 176.173 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 66.0 mttm -84.54 3.34 37.03 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 124.797 1.239 . . . . 0.0 112.756 174.222 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 7.67 67.93 Favored Glycine 0 CA--C 1.531 1.086 0 C-N-CA 126.314 1.911 . . . . 0.0 117.408 175.658 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -153.16 89.26 1.35 Allowed 'General case' 0 N--CA 1.475 0.795 0 CA-C-N 119.836 1.818 . . . . 0.0 112.795 178.762 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.6 t -57.72 130.26 45.61 Favored 'General case' 0 CA--C 1.547 0.851 0 C-N-CA 124.155 0.982 . . . . 0.0 109.594 175.53 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 39.0 p -155.55 19.95 0.4 Allowed 'General case' 0 N--CA 1.476 0.86 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -175.916 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.2 tpp180 -73.2 145.96 45.87 Favored 'General case' 0 N--CA 1.478 0.936 0 O-C-N 120.843 -1.16 . . . . 0.0 111.478 177.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.8 tt0 -53.59 -39.62 65.02 Favored 'General case' 0 N--CA 1.478 0.972 0 C-N-CA 124.683 1.193 . . . . 0.0 113.386 -177.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 15.5 p-10 -148.27 91.39 1.9 Allowed 'General case' 0 CA--C 1.541 0.622 0 C-N-CA 125.861 1.665 . . . . 0.0 108.572 175.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 44.8 t -79.92 126.44 31.01 Favored 'General case' 0 CA--C 1.55 0.963 0 C-N-CA 124.136 0.974 . . . . 0.0 111.737 -176.61 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.11 9.83 3.83 Favored 'General case' 0 N--CA 1.485 1.287 0 C-N-CA 127.149 2.18 . . . . 0.0 113.877 179.704 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 40.2 m-85 -89.93 170.21 10.57 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 126.549 1.939 . . . . 0.0 111.83 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 26.8 tp -84.63 135.12 34.31 Favored 'General case' 0 CA--C 1.537 0.469 0 O-C-N 121.065 -1.022 . . . . 0.0 111.05 -178.381 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 20.2 m170 -100.36 104.78 32.33 Favored Pre-proline 0 CA--C 1.546 0.79 0 N-CA-C 106.383 -1.71 . . . . 0.0 106.383 172.684 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 7.0 Cg_exo -77.5 162.42 30.55 Favored 'Trans proline' 0 CA--C 1.542 0.914 0 C-N-CA 122.542 2.161 . . . . 0.0 113.558 -176.576 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 71.6 Cg_endo -70.54 158.24 56.51 Favored 'Trans proline' 0 CA--C 1.545 1.026 0 C-N-CA 122.953 2.435 . . . . 0.0 109.781 171.838 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.5 Cg_exo -45.39 -41.93 17.68 Favored 'Trans proline' 0 CA--C 1.54 0.779 0 C-N-CA 124.148 3.232 . . . . 0.0 116.23 -178.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 33.8 p-80 -66.37 -42.22 88.29 Favored 'General case' 0 N--CA 1.473 0.722 0 O-C-N 121.403 -0.811 . . . . 0.0 113.001 179.293 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 45.5 mt -72.26 -35.81 68.87 Favored 'General case' 0 N--CA 1.469 0.503 0 CA-C-O 118.297 -0.858 . . . . 0.0 110.917 175.424 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.4 mttt -58.62 -44.0 89.85 Favored 'General case' 0 N--CA 1.479 0.999 0 CA-C-N 119.636 1.107 . . . . 0.0 110.143 174.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 82.4 m -62.99 -44.87 94.83 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 123.051 0.54 . . . . 0.0 111.06 177.618 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 64.0 tp60 -62.08 -41.89 98.64 Favored 'General case' 0 N--CA 1.47 0.528 0 CA-C-N 119.198 0.908 . . . . 0.0 111.005 177.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -60.06 -48.21 82.64 Favored 'General case' 0 CA--C 1.538 0.505 0 C-N-CA 124.672 1.189 . . . . 0.0 110.507 177.29 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -66.7 -33.22 75.16 Favored 'General case' 0 CA--C 1.538 0.501 0 O-C-N 121.465 -0.772 . . . . 0.0 112.77 178.641 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 69.0 mt -66.26 -46.4 87.35 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.839 0 CA-C-N 119.417 1.008 . . . . 0.0 109.621 174.739 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 55.7 m-20 -59.42 -43.36 93.07 Favored 'General case' 0 CA--C 1.542 0.639 0 C-N-CA 123.851 0.86 . . . . 0.0 110.288 176.669 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -62.03 -51.37 57.41 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 124.698 1.142 . . . . 0.0 112.008 176.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -52.87 -48.37 67.15 Favored 'General case' 0 N--CA 1.478 0.955 0 CA-C-N 118.716 1.258 . . . . 0.0 112.835 179.126 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -61.07 -26.68 67.81 Favored 'General case' 0 CA--C 1.541 0.628 0 C-N-CA 123.446 0.698 . . . . 0.0 112.668 177.437 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 60.1 t30 -79.96 -25.03 40.57 Favored 'General case' 0 CA--C 1.545 0.766 0 CA-C-N 119.025 0.829 . . . . 0.0 112.391 176.742 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 2.1 mm? -63.47 -23.55 67.45 Favored 'General case' 0 N--CA 1.481 1.086 0 CA-C-N 120.114 1.325 . . . . 0.0 112.198 175.468 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 1.7 mp -64.1 -21.06 28.06 Favored 'Isoleucine or valine' 0 CA--C 1.549 0.94 0 C-N-CA 124.726 1.21 . . . . 0.0 110.824 176.549 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 49.95 54.8 10.43 Favored 'General case' 0 CA--C 1.543 0.673 0 C-N-CA 126.504 1.922 . . . . 0.0 114.153 175.344 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 28.1 mp0 -50.27 -31.7 14.86 Favored 'General case' 0 N--CA 1.475 0.81 0 C-N-CA 126.364 1.865 . . . . 0.0 112.869 178.274 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 60.2 pttt -58.96 -26.77 64.73 Favored 'General case' 0 N--CA 1.475 0.803 0 C-N-CA 127.049 2.14 . . . . 0.0 114.918 176.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 55.0 t-20 . . . . . 0 CA--C 1.544 0.721 0 C-N-CA 127.349 2.26 . . . . 0.0 113.966 -179.635 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.172 0 O4'-C1'-N19 110.432 2.232 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.429 -2.015 0 O4'-C1'-N19 112.194 3.994 . 0.514 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.334 1 O4'-C1'-N19 113.243 5.043 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.416 0 O4'-C1'-N19 111.137 2.937 . 0.207 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.349 0 C4'-C3'-C2' 99.18 -3.52 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.398 0 O3'-P-O5' 98.201 -3.052 . 0.01 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 0 O3'-P-O5' 97.699 -3.316 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.51 0 O4'-C1'-N19 111.811 3.611 . 0.035 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.796 2 O4'-C1'-N19 114.99 6.79 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.059 0 O4'-C1'-N19 110.364 2.164 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.516 0 C5'-C4'-O4' 112.886 2.633 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.68 0 O4'-C1'-N19 111.122 2.922 . 0.708 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.138 0 O4'-C1'-N19 111.945 3.745 . 0.457 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.709 1 O4'-C1'-N19 112.763 4.563 . 0.092 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.309 0 O4'-C4'-C3' 108.875 2.411 . 0.256 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 59.2 mtt . . . . . 0 CA--C 1.546 0.816 0 N-CA-C 112.743 0.645 . . . . 0.0 112.743 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.0 -12.91 61.23 Favored 'General case' 0 CA--C 1.55 0.978 0 N-CA-C 115.617 1.71 . . . . 0.0 115.617 -178.616 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 35.2 m -136.73 175.82 9.32 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.069 0 C-N-CA 125.779 1.632 . . . . 0.0 111.917 -179.504 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 14.9 m -59.53 -9.25 2.38 Favored 'General case' 0 N--CA 1.481 1.091 0 N-CA-C 116.763 2.135 . . . . 0.0 116.763 -177.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.0 m -138.83 161.03 30.03 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.98 0 C-N-CA 126.69 1.996 . . . . 0.0 110.514 178.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 20.6 m -62.51 115.58 17.48 Favored Pre-proline 0 N--CA 1.476 0.853 0 C-N-CA 123.753 0.821 . . . . 0.0 111.322 -179.55 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 49.3 Cg_endo -81.41 178.16 6.97 Favored 'Trans proline' 0 CA--C 1.541 0.858 0 C-N-CA 123.553 2.835 . . . . 0.0 111.893 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 5.3 mp -80.01 157.86 4.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 N-CA-C 108.016 -1.105 . . . . 0.0 108.016 174.858 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 62.0 mtt85 -140.08 147.95 41.04 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 126.268 1.827 . . . . 0.0 111.169 -177.821 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 54.4 t0 -159.62 99.96 1.45 Allowed 'General case' 0 CA--C 1.544 0.715 0 C-N-CA 124.809 1.244 . . . . 0.0 111.249 -178.282 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 69.9 p -56.04 -13.77 2.16 Favored 'General case' 0 N--CA 1.482 1.14 0 N-CA-C 115.499 1.666 . . . . 0.0 115.499 -179.235 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 56.1 tptt -57.93 -30.8 66.23 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 124.658 1.183 . . . . 0.0 112.961 176.658 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 12.3 p-90 -82.64 -26.51 32.12 Favored 'General case' 0 N--CA 1.471 0.578 0 O-C-N 121.666 -0.646 . . . . 0.0 112.028 176.242 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 20.2 mt -83.69 -14.84 50.78 Favored 'General case' 0 CA--C 1.542 0.668 0 C-N-CA 124.949 1.3 . . . . 0.0 112.589 176.114 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.1 p -79.85 149.02 31.12 Favored 'General case' 0 N--CA 1.475 0.785 0 CA-C-N 120.471 1.487 . . . . 0.0 114.11 -177.588 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.3 mt -132.52 139.77 48.04 Favored 'General case' 0 N--CA 1.468 0.426 0 C-N-CA 127.548 2.339 . . . . 0.0 108.561 177.679 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.4 mp0 -71.51 148.04 47.14 Favored 'General case' 0 N--CA 1.471 0.589 0 CA-C-O 121.956 0.884 . . . . 0.0 113.36 -176.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -98.45 140.0 19.22 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 126.255 1.822 . . . . 0.0 110.178 179.617 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.3 t -59.32 133.17 55.85 Favored 'General case' 0 CA--C 1.543 0.685 0 C-N-CA 123.662 0.785 . . . . 0.0 112.105 -179.746 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 17.9 ptm180 -66.96 -42.62 84.87 Favored 'General case' 0 N--CA 1.474 0.754 0 O-C-N 121.322 -0.861 . . . . 0.0 111.897 179.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 42.9 mt-10 -67.19 -30.36 70.28 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.471 0.708 . . . . 0.0 111.758 177.5 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 82.2 t80 -65.64 -40.39 92.45 Favored 'General case' 0 CA--C 1.538 0.482 0 O-C-N 121.042 -1.036 . . . . 0.0 110.395 174.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 41.1 mt-30 -67.25 -31.98 72.69 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 124.124 0.97 . . . . 0.0 111.711 175.606 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 31.9 mmt-85 -79.67 -14.64 58.64 Favored 'General case' 0 N--CA 1.484 1.226 0 C-N-CA 123.857 0.863 . . . . 0.0 112.753 174.296 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.08 30.18 43.3 Favored Glycine 0 CA--C 1.537 1.444 0 C-N-CA 125.157 1.36 . . . . 0.0 113.618 -178.411 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 53.6 p -122.15 -13.9 8.06 Favored 'General case' 0 N--CA 1.479 0.987 0 N-CA-C 115.43 1.641 . . . . 0.0 115.43 -176.086 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.1 t -66.37 147.04 53.89 Favored 'General case' 0 CA--C 1.55 0.981 0 CA-C-N 119.865 1.211 . . . . 0.0 111.422 177.44 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 51.4 p -140.09 59.8 1.56 Allowed 'General case' 0 N--CA 1.475 0.813 0 C-N-CA 124.467 1.107 . . . . 0.0 113.87 -178.81 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 85.3 mtt180 -153.11 151.64 26.44 Favored Pre-proline 0 N--CA 1.478 0.952 0 C-N-CA 126.492 1.917 . . . . 0.0 111.086 176.394 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 86.1 Cg_endo -72.75 157.07 52.55 Favored 'Trans proline' 0 CA--C 1.54 0.822 0 C-N-CA 121.895 1.73 . . . . 0.0 108.601 171.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.5 p-10 -54.04 -28.13 36.56 Favored 'General case' 0 N--CA 1.477 0.903 0 O-C-N 121.074 -1.017 . . . . 0.0 113.442 178.537 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -64.66 -26.95 68.61 Favored 'General case' 0 N--CA 1.473 0.691 0 C-N-CA 125.948 1.699 . . . . 0.0 113.389 177.797 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 67.4 mm-40 -113.68 -16.41 12.32 Favored 'General case' 0 N--CA 1.475 0.78 0 C-N-CA 124.563 1.145 . . . . 0.0 113.933 -178.011 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 6.5 t -79.79 170.09 17.01 Favored 'General case' 0 CA--C 1.55 0.977 0 CA-C-O 121.572 0.701 . . . . 0.0 110.932 175.241 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.5 mtpp -82.12 -15.71 52.42 Favored 'General case' 0 N--CA 1.478 0.954 0 C-N-CA 125.261 1.424 . . . . 0.0 113.729 -179.868 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 75.1 m-85 -139.61 -179.72 6.08 Favored 'General case' 0 CA--C 1.543 0.687 0 C-N-CA 126.637 1.975 . . . . 0.0 112.075 -175.179 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.6 148.38 23.38 Favored 'General case' 0 CA--C 1.546 0.816 0 O-C-N 121.438 -0.789 . . . . 0.0 112.733 -175.876 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 53.0 m170 -120.28 81.21 29.46 Favored Pre-proline 0 CA--C 1.553 1.083 0 C-N-CA 126.584 1.954 . . . . 0.0 111.244 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 57.0 Cg_endo -68.26 165.03 30.09 Favored 'Trans proline' 0 CA--C 1.536 0.623 0 C-N-CA 124.238 3.292 . . . . 0.0 114.991 -178.161 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 72.3 m -105.38 166.86 10.13 Favored 'General case' 0 N--CA 1.469 0.502 0 C-N-CA 125.949 1.7 . . . . 0.0 110.02 175.32 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 64.4 tttm -55.61 -30.49 60.99 Favored 'General case' 0 N--CA 1.481 1.096 0 C-N-CA 124.448 1.099 . . . . 0.0 113.672 179.596 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.1 m -78.41 -13.98 59.59 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 125.722 1.609 . . . . 0.0 114.568 178.763 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.7 m -77.78 149.02 34.52 Favored 'General case' 0 CA--C 1.541 0.627 0 CA-C-N 119.565 1.075 . . . . 0.0 112.266 -179.351 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 32.0 mt-30 -79.05 61.75 3.29 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 124.103 0.961 . . . . 0.0 111.889 175.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.2 t -67.09 130.16 32.23 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.724 0 C-N-CA 124.65 1.18 . . . . 0.0 109.438 178.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 38.0 tt0 -150.79 136.19 17.85 Favored 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 125.327 1.451 . . . . 0.0 111.38 -177.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 69.9 m-20 48.2 33.16 3.48 Favored 'General case' 0 CA--C 1.552 1.053 0 C-N-CA 125.798 1.639 . . . . 0.0 114.959 178.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 75.94 22.74 73.69 Favored Glycine 0 CA--C 1.538 1.475 0 O-C-N 121.256 -0.903 . . . . 0.0 113.672 -177.838 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 30.5 mtm-85 -139.01 170.12 16.55 Favored 'General case' 0 N--CA 1.474 0.742 0 C-N-CA 127.702 2.401 . . . . 0.0 111.153 -178.376 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.41 138.14 40.28 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.932 0 N-CA-C 108.59 -0.892 . . . . 0.0 108.59 175.742 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . 0.467 HD12 ' H ' ' A' ' 51' ' ' ILE . 3.6 mp -72.52 125.28 31.0 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.628 0 N-CA-C 107.18 -1.415 . . . . 0.0 107.18 175.14 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -74.86 151.9 38.96 Favored 'General case' 0 CA--C 1.542 0.671 0 O-C-N 121.574 -0.704 . . . . 0.0 112.494 179.632 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 22.1 t -78.04 101.8 7.12 Favored 'General case' 0 CA--C 1.545 0.76 0 C-N-CA 125.703 1.601 . . . . 0.0 110.739 179.695 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 43.6 t80 -58.33 -36.95 74.16 Favored 'General case' 0 N--CA 1.473 0.712 0 O-C-N 120.995 -1.066 . . . . 0.0 110.346 177.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 0.2 OUTLIER -54.9 -40.0 69.36 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 125.654 1.582 . . . . 0.0 110.823 174.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 t -76.04 -41.82 49.62 Favored 'General case' 0 CA--C 1.536 0.407 0 C-N-CA 125.281 1.432 . . . . 0.0 112.937 174.722 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.4 mm? -57.87 -33.13 68.37 Favored 'General case' 0 N--CA 1.479 0.986 0 CA-C-N 119.86 1.209 . . . . 0.0 111.708 176.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 32.9 mmmt -81.15 -5.02 57.23 Favored 'General case' 0 N--CA 1.474 0.759 0 C-N-CA 124.965 1.306 . . . . 0.0 113.288 176.653 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 78.8 25.98 59.38 Favored Glycine 0 CA--C 1.536 1.344 0 N-CA-C 117.226 1.65 . . . . 0.0 117.226 175.175 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -147.43 26.75 1.04 Allowed 'General case' 0 N--CA 1.485 1.304 0 N-CA-C 116.037 1.866 . . . . 0.0 116.037 -178.347 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 51.6 t -44.7 121.84 2.89 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 125.207 1.403 . . . . 0.0 113.001 -175.076 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -146.31 20.12 1.38 Allowed 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 114.568 1.322 . . . . 0.0 114.568 -175.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -61.31 139.47 58.16 Favored 'General case' 0 N--CA 1.48 1.043 0 O-C-N 120.753 -1.217 . . . . 0.0 112.711 179.584 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.8 pt-20 -66.56 -26.43 67.12 Favored 'General case' 0 N--CA 1.478 0.933 0 C-N-CA 124.433 1.093 . . . . 0.0 113.699 179.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 20.4 t-20 -144.1 77.93 1.56 Allowed 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.554 1.942 . . . . 0.0 108.573 178.767 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 t -79.64 119.78 23.07 Favored 'General case' 0 CA--C 1.546 0.799 0 CA-C-O 122.096 0.95 . . . . 0.0 109.376 -174.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 65.4 pttt -129.07 14.13 6.24 Favored 'General case' 0 N--CA 1.48 1.046 0 C-N-CA 127.467 2.307 . . . . 0.0 114.365 -171.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 29.7 m-85 -112.46 166.75 11.02 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.607 1.563 . . . . 0.0 111.42 -178.48 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 33.8 tp -84.76 135.1 34.27 Favored 'General case' 0 CA--C 1.538 0.512 0 O-C-N 120.943 -1.098 . . . . 0.0 111.963 -177.321 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 15.7 m170 -95.52 104.93 17.48 Favored Pre-proline 0 CA--C 1.546 0.813 0 N-CA-C 107.806 -1.183 . . . . 0.0 107.806 173.87 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 91.4 Cg_endo -80.04 141.97 15.16 Favored 'Trans proline' 0 CA--C 1.545 1.071 0 C-N-CA 122.488 2.126 . . . . 0.0 115.082 -175.162 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.2 Cg_endo -74.21 163.85 35.58 Favored 'Trans proline' 0 CA--C 1.55 1.308 0 C-N-CA 123.837 3.025 . . . . 0.0 109.935 171.536 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.7 Cg_exo -42.92 -42.82 9.25 Favored 'Trans proline' 0 CA--C 1.539 0.765 0 C-N-CA 124.681 3.587 . . . . 0.0 117.433 -178.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 36.8 p-80 -66.3 -37.6 85.79 Favored 'General case' 0 N--CA 1.475 0.804 0 O-C-N 121.077 -1.014 . . . . 0.0 112.704 178.661 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 38.0 mt -79.36 -28.18 41.98 Favored 'General case' 0 N--CA 1.47 0.546 0 CA-C-O 118.26 -0.876 . . . . 0.0 111.499 174.768 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 96.5 mttt -58.44 -39.48 79.94 Favored 'General case' 0 N--CA 1.482 1.156 0 CA-C-N 120.32 1.418 . . . . 0.0 110.141 172.704 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 62.9 m -65.83 -44.43 85.59 Favored 'General case' 0 N--CA 1.472 0.63 0 C-N-CA 123.104 0.561 . . . . 0.0 110.602 175.756 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 42.9 tt0 -60.42 -43.46 96.73 Favored 'General case' 0 CA--C 1.541 0.634 0 O-C-N 121.49 -0.756 . . . . 0.0 111.12 176.063 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -59.11 -47.28 85.83 Favored 'General case' 0 CA--C 1.538 0.504 0 C-N-CA 125.644 1.578 . . . . 0.0 110.012 177.191 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.3 tt0 -61.09 -45.75 93.43 Favored 'General case' 0 CA--C 1.539 0.526 0 C-N-CA 123.38 0.672 . . . . 0.0 111.577 177.909 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.8 mt -62.14 -46.81 95.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.736 0 C-N-CA 123.94 0.896 . . . . 0.0 110.654 177.355 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 45.9 t-20 -59.89 -44.25 94.33 Favored 'General case' 0 CA--C 1.543 0.676 0 C-N-CA 123.956 0.902 . . . . 0.0 110.681 177.698 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -61.49 -53.4 44.33 Favored Glycine 0 CA--C 1.528 0.895 0 C-N-CA 124.685 1.136 . . . . 0.0 112.771 176.645 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 26.0 mmt180 -60.83 -43.53 98.14 Favored 'General case' 0 N--CA 1.475 0.802 0 CA-C-N 118.566 1.183 . . . . 0.0 112.085 178.039 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 40.1 t30 -57.16 -41.89 80.06 Favored 'General case' 0 CA--C 1.543 0.692 0 CA-C-N 119.196 0.907 . . . . 0.0 111.667 175.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 12.3 m-80 -66.79 -33.23 75.17 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.704 0.802 . . . . 0.0 112.724 176.703 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.791 HD11 " H2'" ' B' ' 103' ' ' ' U' . 78.5 mt -70.1 -38.84 75.74 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.333 0.969 . . . . 0.0 111.223 174.511 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 61.4 mt -72.63 -32.46 41.24 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.822 0 C-N-CA 124.908 1.283 . . . . 0.0 111.794 179.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 77.3 mm-40 59.07 46.89 12.7 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 125.804 1.641 . . . . 0.0 111.842 -175.776 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 35.1 mt-30 -53.73 -25.72 19.97 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 114.639 1.348 . . . . 0.0 114.639 -179.298 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 1.6 mmmp? -72.02 -18.7 61.94 Favored 'General case' 0 N--CA 1.478 0.939 0 C-N-CA 125.575 1.55 . . . . 0.0 113.912 178.459 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 3.6 t30 . . . . . 0 CA--C 1.545 0.777 0 C-N-CA 125.855 1.662 . . . . 0.0 112.641 -178.767 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.415 -3.141 2 O4'-C1'-N19 112.965 4.765 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.625 0 P-O3'-C3' 122.702 2.502 . 0.01 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.553 0 O4'-C1'-C2' 101.055 -3.818 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1b' 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.157 1 O4'-C1'-N19 112.905 4.705 . 0.01 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.415 1 O4'-C1'-N19 113.283 5.083 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.047 1 O4'-C1'-N19 112.895 4.695 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.416 -3.064 0 O4'-C1'-N19 110.997 2.797 . 0.178 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.851 1 C3'-C2'-C1' 106.056 5.062 . 0.012 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.791 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.464 2 O4'-C1'-N19 114.344 6.144 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.841 0 C1'-O4'-C4' 106.16 -3.823 . 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.926 0 C1'-O4'-C4' 106.284 -3.684 . 0.01 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.906 0 O3'-P-O5' 99.325 -2.46 . 0.312 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.332 0 O3'-P-O5' 98.406 -2.944 . 0.391 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.76 2 O4'-C1'-N19 115.757 7.557 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.753 1 O4'-C1'-N19 113.156 4.956 . 0.048 3d . 0.0 . . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.3 mtt . . . . . 0 CA--C 1.545 0.766 0 N-CA-C 113.464 0.913 . . . . 0.0 113.464 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.62 162.74 39.1 Favored 'General case' 0 CA--C 1.545 0.766 0 C-N-CA 125.983 1.713 . . . . 0.0 111.803 179.321 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 13.2 p -153.32 161.05 2.66 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 125.441 1.496 . . . . 0.0 111.186 -179.754 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.0 m -64.44 -3.58 3.13 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 116.68 2.104 . . . . 0.0 116.68 -177.752 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 58.8 t -61.01 149.31 8.2 Favored 'Isoleucine or valine' 0 N--CA 1.481 1.087 0 C-N-CA 125.051 1.34 . . . . 0.0 111.39 179.34 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 19.8 m -62.37 135.99 95.53 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 125.191 1.396 . . . . 0.0 111.87 -178.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 24.7 Cg_exo -57.5 170.07 2.0 Favored 'Trans proline' 0 CA--C 1.543 0.948 0 C-N-CA 123.486 2.791 . . . . 0.0 114.73 178.251 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 41.8 pt -79.83 160.1 4.29 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.628 0 C-N-CA 125.11 1.364 . . . . 0.0 112.216 179.257 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 42.9 mtt85 -127.6 132.45 49.79 Favored 'General case' 0 N--CA 1.477 0.913 0 C-N-CA 125.135 1.374 . . . . 0.0 110.315 178.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.3 t0 -162.57 108.16 1.19 Allowed 'General case' 0 CA--C 1.545 0.771 0 C-N-CA 125.245 1.418 . . . . 0.0 111.047 -178.372 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 40.3 p -54.45 -17.15 2.81 Favored 'General case' 0 N--CA 1.482 1.137 0 N-CA-C 114.957 1.466 . . . . 0.0 114.957 179.09 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 84.7 tttt -61.39 -28.85 69.54 Favored 'General case' 0 N--CA 1.472 0.666 0 C-N-CA 124.54 1.136 . . . . 0.0 112.605 176.212 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.9 p-90 -85.57 -25.61 26.62 Favored 'General case' 0 N--CA 1.474 0.73 0 CA-C-N 118.925 0.784 . . . . 0.0 112.043 175.531 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 65.5 mt -82.81 -18.73 39.48 Favored 'General case' 0 CA--C 1.544 0.717 0 C-N-CA 124.702 1.201 . . . . 0.0 113.247 176.63 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.97 152.21 29.63 Favored 'General case' 0 N--CA 1.479 1.002 0 CA-C-N 120.227 1.376 . . . . 0.0 114.238 -178.049 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 57.3 mt -135.01 151.66 51.01 Favored 'General case' 0 N--CA 1.47 0.566 0 C-N-CA 126.587 1.955 . . . . 0.0 109.134 174.987 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 29.8 tt0 -93.22 139.54 30.5 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 124.346 1.058 . . . . 0.0 113.241 -176.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 57.4 t -82.93 140.05 16.89 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.455 0 C-N-CA 125.797 1.639 . . . . 0.0 110.324 178.695 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 38.0 t -58.63 132.91 55.22 Favored 'General case' 0 CA--C 1.545 0.779 0 C-N-CA 124.166 0.986 . . . . 0.0 111.819 179.068 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.4 tpp180 -65.77 -43.62 88.26 Favored 'General case' 0 N--CA 1.475 0.775 0 O-C-N 121.14 -0.975 . . . . 0.0 111.351 179.799 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 1.3 mp0 -67.87 -25.57 65.59 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 123.338 0.655 . . . . 0.0 112.028 177.393 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.6 t80 -70.69 -44.57 66.73 Favored 'General case' 0 N--CA 1.469 0.509 0 O-C-N 120.698 -1.251 . . . . 0.0 110.369 174.745 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.3 mt-30 -64.37 -36.87 85.55 Favored 'General case' 0 CA--C 1.543 0.704 0 C-N-CA 124.192 0.997 . . . . 0.0 111.155 175.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 79.3 ttt180 -70.25 -19.42 63.13 Favored 'General case' 0 N--CA 1.477 0.89 0 C-N-CA 126.758 2.023 . . . . 0.0 112.919 175.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 31.46 39.17 Favored Glycine 0 CA--C 1.536 1.388 0 C-N-CA 125.297 1.427 . . . . 0.0 114.112 -179.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 51.1 p -128.93 -14.19 4.49 Favored 'General case' 0 N--CA 1.48 1.038 0 N-CA-C 115.663 1.727 . . . . 0.0 115.663 -176.593 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.0 t -61.09 140.31 57.9 Favored 'General case' 0 CA--C 1.548 0.902 0 CA-C-N 120.048 1.295 . . . . 0.0 111.399 178.425 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.1 m -137.52 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.728 0 C-N-CA 124.964 1.305 . . . . 0.0 111.774 -178.715 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 31.4 mmt180 -147.84 147.43 27.02 Favored Pre-proline 0 N--CA 1.478 0.961 0 C-N-CA 126.922 2.089 . . . . 0.0 109.897 178.163 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 75.5 Cg_endo -72.25 152.37 55.69 Favored 'Trans proline' 0 CA--C 1.537 0.66 0 C-N-CA 122.039 1.826 . . . . 0.0 110.198 177.065 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 28.7 t70 -52.27 -32.77 38.82 Favored 'General case' 0 N--CA 1.475 0.818 0 C-N-CA 124.473 1.109 . . . . 0.0 112.866 178.167 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.0 m -67.41 -19.92 65.45 Favored 'General case' 0 N--CA 1.471 0.594 0 C-N-CA 127.17 2.188 . . . . 0.0 114.359 178.741 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -119.96 -25.11 5.89 Favored 'General case' 0 N--CA 1.473 0.689 0 C-N-CA 124.658 1.183 . . . . 0.0 113.493 -176.438 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.5 t -68.64 151.96 46.01 Favored 'General case' 0 CA--C 1.551 0.993 0 CA-C-O 121.495 0.664 . . . . 0.0 111.692 178.857 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.1 mttp -69.12 -12.61 61.83 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 125.458 1.503 . . . . 0.0 114.62 -178.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.8 m-85 -138.59 -179.95 6.11 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 126.213 1.805 . . . . 0.0 111.988 -177.497 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.21 24.63 Favored 'General case' 0 CA--C 1.546 0.795 0 N-CA-C 113.511 0.93 . . . . 0.0 113.511 -175.622 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.0 m170 -120.09 72.25 17.7 Favored Pre-proline 0 CA--C 1.553 1.082 0 C-N-CA 126.989 2.116 . . . . 0.0 110.437 177.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 72.0 Cg_endo -69.07 165.07 31.46 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 123.861 3.041 . . . . 0.0 113.363 -178.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.1 t -105.45 176.99 4.98 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.626 1.17 . . . . 0.0 111.918 177.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -59.1 -25.44 63.81 Favored 'General case' 0 N--CA 1.478 0.948 0 C-N-CA 125.333 1.453 . . . . 0.0 113.967 178.276 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.5 m -79.34 -18.46 52.44 Favored 'General case' 0 N--CA 1.471 0.577 0 C-N-CA 125.528 1.531 . . . . 0.0 113.718 178.865 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 83.6 m -79.25 148.99 31.99 Favored 'General case' 0 CA--C 1.542 0.672 0 CA-C-N 118.998 0.817 . . . . 0.0 111.698 179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.3 46.87 0.43 Allowed 'General case' 0 CA--C 1.552 1.048 0 C-N-CA 124.829 1.252 . . . . 0.0 113.207 177.212 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.3 t -59.42 128.11 19.77 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 125.036 1.334 . . . . 0.0 111.295 -178.597 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 40.9 tt0 -150.13 132.95 15.99 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.359 1.063 . . . . 0.0 111.283 -179.723 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.9 t30 45.33 37.92 3.2 Favored 'General case' 0 CA--C 1.554 1.122 0 C-N-CA 125.903 1.681 . . . . 0.0 115.04 178.742 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 77.45 13.77 83.19 Favored Glycine 0 CA--C 1.537 1.425 0 O-C-N 121.149 -0.97 . . . . 0.0 115.206 -179.49 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 14.8 mmm180 -129.7 160.35 33.64 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 126.287 1.835 . . . . 0.0 111.18 -179.798 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -145.23 138.94 22.02 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.837 0 N-CA-C 107.871 -1.159 . . . . 0.0 107.871 173.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 46.2 mt -79.19 129.15 37.99 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.611 0 N-CA-C 107.154 -1.425 . . . . 0.0 107.154 174.446 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.37 152.03 30.65 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 123.611 0.764 . . . . 0.0 112.438 179.601 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 40.7 t -74.8 106.12 6.19 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.087 1.355 . . . . 0.0 110.48 179.519 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -58.71 -40.6 84.18 Favored 'General case' 0 N--CA 1.469 0.502 0 O-C-N 121.374 -0.829 . . . . 0.0 110.808 177.788 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 50.7 m-20 -60.38 -44.5 95.56 Favored 'General case' 0 CA--C 1.547 0.832 0 O-C-N 121.738 -0.601 . . . . 0.0 111.192 176.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -66.59 -40.36 88.86 Favored 'General case' 0 N--CA 1.472 0.646 0 O-C-N 121.13 -0.981 . . . . 0.0 111.827 175.161 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 57.4 mt -61.05 -33.11 72.79 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.196 0.998 . . . . 0.0 111.515 175.353 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 10.4 tppt? -75.95 -5.7 47.42 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.527 1.531 . . . . 0.0 112.409 175.213 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.04 10.02 64.99 Favored Glycine 0 CA--C 1.531 1.09 0 C-N-CA 126.957 2.217 . . . . 0.0 115.918 179.098 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 tpp85 -155.65 92.52 1.39 Allowed 'General case' 0 N--CA 1.471 0.613 0 CA-C-N 119.041 1.421 . . . . 0.0 112.294 177.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 13.3 t -52.95 143.77 16.35 Favored 'General case' 0 CA--C 1.551 1.01 0 C-N-CA 124.571 1.149 . . . . 0.0 110.237 175.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 3.5 t -134.37 38.44 3.11 Favored 'General case' 0 N--CA 1.478 0.955 0 N-CA-C 115.369 1.618 . . . . 0.0 115.369 -173.332 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 74.3 mtt85 -130.16 140.23 50.79 Favored 'General case' 0 N--CA 1.481 1.101 0 C-N-CA 125.097 1.359 . . . . 0.0 112.473 176.453 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -74.6 -26.08 59.68 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 123.957 0.903 . . . . 0.0 111.146 175.349 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 46.2 t30 -144.23 83.89 1.75 Allowed 'General case' 0 CA--C 1.544 0.735 0 C-N-CA 127.289 2.236 . . . . 0.0 108.489 178.249 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.5 t -79.76 147.1 31.99 Favored 'General case' 0 CA--C 1.55 0.969 0 C-N-CA 124.705 1.202 . . . . 0.0 111.203 -175.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 20.8 pttp -131.71 -3.79 3.69 Favored 'General case' 0 N--CA 1.483 1.178 0 C-N-CA 125.936 1.695 . . . . 0.0 115.332 -175.578 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 33.4 m-85 -89.95 168.9 11.66 Favored 'General case' 0 CA--C 1.547 0.848 0 C-N-CA 124.497 1.119 . . . . 0.0 110.478 178.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 51.2 tp -84.68 135.11 34.29 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.759 -1.213 . . . . 0.0 111.128 -179.473 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 21.8 m170 -101.19 104.8 35.32 Favored Pre-proline 0 CA--C 1.546 0.818 0 N-CA-C 107.177 -1.416 . . . . 0.0 107.177 174.03 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -82.98 147.98 13.37 Favored 'Trans proline' 0 CA--C 1.546 1.076 0 C-N-CA 122.461 2.107 . . . . 0.0 113.962 -176.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 92.6 Cg_endo -72.02 161.42 44.83 Favored 'Trans proline' 0 CA--C 1.544 0.997 0 C-N-CA 124.022 3.148 . . . . 0.0 109.86 174.242 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 76.1 Cg_exo -43.0 -40.87 8.9 Favored 'Trans proline' 0 CA--C 1.54 0.812 0 C-N-CA 124.492 3.462 . . . . 0.0 116.699 -177.864 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 29.0 p-80 -67.49 -46.81 71.84 Favored 'General case' 0 N--CA 1.478 0.934 0 CA-C-N 120.118 1.326 . . . . 0.0 113.124 179.227 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 57.4 mt -71.34 -34.0 70.12 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.318 -0.864 . . . . 0.0 110.894 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 69.2 tttt -61.55 -38.25 86.79 Favored 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 125.299 1.44 . . . . 0.0 111.033 174.686 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.4 m -66.89 -41.75 86.67 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.528 0.731 . . . . 0.0 110.342 173.936 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 28.8 tt0 -62.12 -40.82 97.2 Favored 'General case' 0 CA--C 1.541 0.608 0 O-C-N 121.477 -0.764 . . . . 0.0 110.477 175.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -61.44 -48.67 80.12 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.569 1.548 . . . . 0.0 110.293 176.116 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 53.4 tt0 -57.32 -45.89 83.78 Favored 'General case' 0 CA--C 1.54 0.577 0 C-N-CA 124.414 1.086 . . . . 0.0 111.745 177.688 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.1 mt -63.56 -45.24 98.22 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.815 0 C-N-CA 123.911 0.884 . . . . 0.0 110.754 177.308 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 18.8 m-80 -65.11 -32.77 74.64 Favored 'General case' 0 CA--C 1.539 0.531 0 O-C-N 121.637 -0.664 . . . . 0.0 112.523 177.725 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -79.73 -51.86 4.96 Favored Glycine 0 CA--C 1.523 0.591 0 C-N-CA 124.048 0.832 . . . . 0.0 114.125 179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 72.5 mmt-85 -65.13 -34.13 77.66 Favored 'General case' 0 N--CA 1.472 0.649 0 CA-C-N 119.136 1.468 . . . . 0.0 114.608 -176.158 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -70.23 -30.38 67.43 Favored 'General case' 0 CA--C 1.544 0.749 0 O-C-N 121.498 -0.751 . . . . 0.0 111.022 175.458 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 31.2 t30 -65.45 -42.69 92.09 Favored 'General case' 0 CA--C 1.541 0.597 0 CA-C-O 117.073 -1.441 . . . . 0.0 112.86 178.183 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.319 1.9 pt? -75.67 -23.78 56.27 Favored 'General case' 0 N--CA 1.488 1.46 0 CA-C-N 121.344 1.884 . . . . 0.0 112.946 177.44 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 71.2 mt -67.8 -23.4 29.32 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 124.376 1.071 . . . . 0.0 110.476 172.774 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 55.44 41.87 30.53 Favored 'General case' 0 CA--C 1.544 0.742 0 C-N-CA 126.084 1.754 . . . . 0.0 112.693 177.175 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 25.8 pt20 -50.34 -23.71 2.51 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 116.132 1.901 . . . . 0.0 116.132 -177.543 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.7 tttt -62.25 -26.56 68.45 Favored 'General case' 0 N--CA 1.477 0.915 0 C-N-CA 124.977 1.311 . . . . 0.0 112.834 177.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 53.6 t-20 . . . . . 0 CA--C 1.544 0.738 0 C-N-CA 127.113 2.165 . . . . 0.0 114.129 179.165 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.466 0 C4'-C3'-C2' 100.291 -2.409 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.356 0 O4'-C1'-N19 111.343 3.143 . 0.595 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.665 0 O3'-P-O5' 99.456 -2.392 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.569 0 O4'-C1'-N19 110.957 2.757 . 0.042 0b . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.708 0 O4'-C1'-N19 111.697 3.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.834 1 O4'-C1'-N19 113.548 5.348 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.81 0 C4'-C3'-C2' 99.9 -2.8 . 0.206 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.543 2.555 2 O4'-C1'-N19 113.121 4.921 . 0.112 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 P-O3'-C3' 123.845 3.455 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.52 1 O4'-C1'-N19 113.158 4.958 . 0.887 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.464 0 P-O3'-C3' 124.401 3.918 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 0 O4'-C1'-N19 110.937 2.737 . 0.654 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.385 0 O4'-C1'-N19 110.065 1.865 . 0.262 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.178 0 O4'-C1'-N19 111.393 3.193 . 0.867 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.693 1 O4'-C1'-N19 112.623 4.423 . 0.064 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 28.6 ptm . . . . . 0 CA--C 1.545 0.751 0 N-CA-C 114.078 1.14 . . . . 0.0 114.078 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -65.8 159.09 26.05 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 124.97 1.308 . . . . 0.0 113.085 179.376 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.4 t -140.4 147.66 23.04 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.973 0 C-N-CA 125.778 1.631 . . . . 0.0 109.55 179.435 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 15.4 m -65.11 -11.82 44.17 Favored 'General case' 0 N--CA 1.478 0.946 0 N-CA-C 115.197 1.555 . . . . 0.0 115.197 -179.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.1 p -151.61 159.43 4.08 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.713 0 C-N-CA 126.683 1.993 . . . . 0.0 109.999 179.485 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 7.0 m -62.4 126.72 88.65 Favored Pre-proline 0 CA--C 1.546 0.799 0 C-N-CA 124.633 1.173 . . . . 0.0 111.097 -178.731 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_exo -52.76 -33.21 59.13 Favored 'Trans proline' 0 C--N 1.356 0.926 0 C-N-CA 124.301 3.334 . . . . 0.0 115.825 -179.397 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.408 ' H ' HD13 ' A' ' 8' ' ' ILE . 0.2 OUTLIER -120.02 160.06 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.571 0 C-N-CA 127.36 2.264 . . . . 0.0 110.982 178.697 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 29.5 ptt-85 -38.12 103.03 0.03 OUTLIER 'General case' 0 N--CA 1.482 1.142 0 C-N-CA 126.565 1.946 . . . . 0.0 113.826 -179.212 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.6 t70 -55.73 99.98 0.04 OUTLIER 'General case' 0 CA--C 1.544 0.737 0 C-N-CA 127.992 2.517 . . . . 0.0 117.005 -171.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 34.2 p -61.23 -17.45 53.38 Favored 'General case' 0 N--CA 1.48 1.052 0 O-C-N 119.849 -1.782 . . . . 0.0 114.009 175.003 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmmm -65.83 -27.64 68.4 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 120.941 -1.099 . . . . 0.0 113.853 -179.069 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 10.1 p-90 -76.4 -10.94 59.77 Favored 'General case' 0 CA--C 1.545 0.774 0 CA-C-N 118.578 0.626 . . . . 0.0 111.761 173.156 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 89.3 mt -108.98 -14.16 14.6 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.297 1.839 . . . . 0.0 113.462 178.738 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 4.2 p -79.9 150.9 30.42 Favored 'General case' 0 N--CA 1.48 1.061 0 CA-C-N 120.471 1.487 . . . . 0.0 113.879 178.08 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.5 mt -133.93 141.81 47.47 Favored 'General case' 0 N--CA 1.472 0.645 0 C-N-CA 126.615 1.966 . . . . 0.0 109.722 174.311 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 69.2 tt0 -74.51 139.1 43.59 Favored 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 125.093 1.357 . . . . 0.0 114.053 -176.289 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 83.7 t -84.96 140.06 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.598 0 C-N-CA 126.642 1.977 . . . . 0.0 110.543 178.379 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.88 131.96 51.95 Favored 'General case' 0 CA--C 1.54 0.575 0 CA-C-O 122.774 1.273 . . . . 0.0 112.536 -179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 97.5 mtt180 -68.7 -35.62 77.41 Favored 'General case' 0 N--CA 1.471 0.61 0 C-N-CA 125.272 1.429 . . . . 0.0 111.413 -178.176 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 22.7 mm-40 -77.78 -29.49 50.91 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 124.097 0.959 . . . . 0.0 111.25 175.722 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.3 t80 -65.97 -43.14 88.74 Favored 'General case' 0 N--CA 1.47 0.537 0 O-C-N 120.815 -1.178 . . . . 0.0 110.17 174.504 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 37.3 mt-30 -64.52 -33.9 76.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 124.183 0.993 . . . . 0.0 111.61 174.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 45.1 ttm-85 -73.3 -17.36 61.32 Favored 'General case' 0 N--CA 1.48 1.027 0 C-N-CA 125.066 1.347 . . . . 0.0 112.336 175.065 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.17 28.18 50.11 Favored Glycine 0 CA--C 1.536 1.364 0 C-N-CA 125.199 1.381 . . . . 0.0 113.336 -177.743 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 48.8 p -118.2 -21.61 8.1 Favored 'General case' 0 N--CA 1.477 0.918 0 N-CA-C 114.685 1.365 . . . . 0.0 114.685 -177.434 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -71.31 134.46 46.78 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-N 119.871 1.214 . . . . 0.0 110.667 176.617 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.8 p -140.12 59.79 1.56 Allowed 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 124.714 1.205 . . . . 0.0 112.957 -178.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 82.6 mmt-85 -148.91 155.36 40.69 Favored Pre-proline 0 N--CA 1.478 0.968 0 C-N-CA 126.005 1.722 . . . . 0.0 111.679 179.646 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.1 Cg_endo -69.15 158.55 57.32 Favored 'Trans proline' 0 CA--C 1.538 0.708 0 C-N-CA 122.478 2.119 . . . . 0.0 109.986 174.803 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -52.81 -32.44 44.06 Favored 'General case' 0 N--CA 1.475 0.801 0 C-N-CA 124.151 0.98 . . . . 0.0 113.599 -178.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 12.0 p -67.52 -30.35 69.99 Favored 'General case' 0 N--CA 1.473 0.711 0 C-N-CA 125.061 1.344 . . . . 0.0 114.343 178.734 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 42.0 mt-10 -93.56 0.02 56.45 Favored 'General case' 0 CA--C 1.544 0.734 0 C-N-CA 125.233 1.413 . . . . 0.0 112.223 178.431 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.5 t -116.67 170.15 8.81 Favored 'General case' 0 CA--C 1.548 0.873 0 C-N-CA 126.463 1.905 . . . . 0.0 111.934 -179.371 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -99.67 -5.19 29.29 Favored 'General case' 0 N--CA 1.479 0.994 0 C-N-CA 125.59 1.556 . . . . 0.0 114.81 -177.316 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 26.7 m-85 -141.53 -179.89 6.42 Favored 'General case' 0 CA--C 1.549 0.923 0 C-N-CA 126.38 1.872 . . . . 0.0 111.716 -178.42 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.8 148.15 23.38 Favored 'General case' 0 CA--C 1.547 0.846 0 N-CA-C 114.205 1.187 . . . . 0.0 114.205 -175.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 38.5 m170 -120.2 71.64 17.31 Favored Pre-proline 0 CA--C 1.555 1.159 0 C-N-CA 127.403 2.281 . . . . 0.0 112.229 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 92.9 Cg_endo -73.67 165.15 33.05 Favored 'Trans proline' 0 CA--C 1.537 0.655 0 C-N-CA 124.669 3.579 . . . . 0.0 114.784 -178.137 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.2 p -96.3 169.69 9.76 Favored 'General case' 0 C--O 1.237 0.416 0 C-N-CA 125.148 1.379 . . . . 0.0 111.132 175.812 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.3 pttm -60.14 -20.55 58.93 Favored 'General case' 0 N--CA 1.478 0.959 0 N-CA-C 114.174 1.176 . . . . 0.0 114.174 176.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 39.5 m -91.63 -12.13 35.1 Favored 'General case' 0 N--CA 1.471 0.614 0 C-N-CA 125.533 1.533 . . . . 0.0 114.052 -179.708 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 93.6 m -72.92 163.28 28.38 Favored 'General case' 0 CA--C 1.546 0.818 0 N-CA-C 113.115 0.783 . . . . 0.0 113.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 34.1 mm-40 -73.43 46.3 0.19 Allowed 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.375 1.87 . . . . 0.0 112.72 176.425 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.3 t -72.37 123.68 27.49 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.692 0 C-N-CA 124.883 1.273 . . . . 0.0 110.903 -178.188 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -154.44 139.84 17.71 Favored 'General case' 0 N--CA 1.471 0.607 0 C-N-CA 125.151 1.38 . . . . 0.0 111.608 179.279 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.5 t30 44.75 35.64 1.53 Allowed 'General case' 0 CA--C 1.557 1.22 0 C-N-CA 125.855 1.662 . . . . 0.0 115.258 179.806 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.51 14.28 82.3 Favored Glycine 0 CA--C 1.538 1.484 0 O-C-N 121.022 -1.049 . . . . 0.0 115.11 -178.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.6 mpt_? -131.53 166.44 21.37 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 126.995 2.118 . . . . 0.0 110.709 -179.672 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.61 139.03 35.54 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.731 0 N-CA-C 107.976 -1.12 . . . . 0.0 107.976 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 78.3 mt -72.83 125.19 31.22 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.64 0 N-CA-C 107.047 -1.464 . . . . 0.0 107.047 173.798 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -88.21 151.15 22.88 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.538 0.735 . . . . 0.0 112.363 -179.665 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.2 t -69.86 110.39 4.96 Favored 'General case' 0 CA--C 1.545 0.788 0 C-N-CA 125.673 1.589 . . . . 0.0 111.376 -178.369 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.402 ' CE2' ' HE3' ' A' ' 58' ' ' LYS . 2.7 t80 -51.96 -47.25 64.88 Favored 'General case' 0 N--CA 1.473 0.703 0 C-N-CA 125.641 1.577 . . . . 0.0 110.803 178.46 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 62.5 m-20 -63.01 -40.8 98.84 Favored 'General case' 0 CA--C 1.547 0.85 0 N-CA-C 111.986 0.365 . . . . 0.0 111.986 -179.496 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -69.52 -39.12 77.71 Favored 'General case' 0 N--CA 1.473 0.686 0 O-C-N 120.918 -1.114 . . . . 0.0 112.037 174.251 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 53.7 mt -57.94 -26.17 61.9 Favored 'General case' 0 CA--C 1.542 0.641 0 C-N-CA 125.219 1.408 . . . . 0.0 112.608 176.651 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . 0.402 ' HE3' ' CE2' ' A' ' 54' ' ' PHE . 0.6 OUTLIER -97.45 2.03 49.87 Favored 'General case' 0 N--CA 1.477 0.906 0 C-N-CA 126.128 1.771 . . . . 0.0 112.893 176.151 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.0 9.23 66.03 Favored Glycine 0 CA--C 1.531 1.034 0 C-N-CA 126.325 1.917 . . . . 0.0 117.694 174.658 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.1 tpp85 -154.33 92.5 1.51 Allowed 'General case' 0 N--CA 1.474 0.744 0 CA-C-N 119.497 1.648 . . . . 0.0 112.048 178.554 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 8.2 t -53.8 147.88 11.11 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.462 1.505 . . . . 0.0 111.727 178.085 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 27.9 m -124.62 19.94 8.66 Favored 'General case' 0 N--CA 1.481 1.115 0 N-CA-C 115.793 1.775 . . . . 0.0 115.793 -175.719 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.4 mpt_? -130.2 149.27 51.98 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 124.864 1.266 . . . . 0.0 110.36 173.678 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 37.6 tt0 -64.91 -31.24 72.38 Favored 'General case' 0 CA--C 1.548 0.895 0 O-C-N 121.596 -0.69 . . . . 0.0 110.867 174.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.4 t30 -159.59 131.42 6.29 Favored 'General case' 0 CA--C 1.543 0.695 0 C-N-CA 128.418 2.687 . . . . 0.0 107.512 175.686 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.8 p -129.87 151.99 49.84 Favored 'General case' 0 CA--C 1.547 0.857 0 C-N-CA 125.281 1.433 . . . . 0.0 113.213 -178.074 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.1 pttp -81.95 -5.57 58.41 Favored 'General case' 0 N--CA 1.482 1.137 0 C-N-CA 126.454 1.902 . . . . 0.0 115.343 -176.571 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.5 m-85 -90.15 169.71 10.92 Favored 'General case' 0 CA--C 1.542 0.662 0 C-N-CA 124.775 1.23 . . . . 0.0 114.138 -177.172 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.73 135.22 34.23 Favored 'General case' 0 CA--C 1.539 0.557 0 C-N-CA 125.253 1.421 . . . . 0.0 110.745 176.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 12.0 m170 -100.2 104.77 31.67 Favored Pre-proline 0 CA--C 1.548 0.871 0 N-CA-C 106.482 -1.673 . . . . 0.0 106.482 170.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 82.1 Cg_endo -83.1 159.02 15.45 Favored 'Trans proline' 0 CA--C 1.544 0.984 0 C-N-CA 122.847 2.365 . . . . 0.0 114.47 -175.604 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 91.9 Cg_endo -70.79 158.12 56.49 Favored 'Trans proline' 0 CA--C 1.544 1.022 0 C-N-CA 123.751 2.968 . . . . 0.0 110.71 176.023 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.6 Cg_exo -44.61 -42.25 14.5 Favored 'Trans proline' 0 C--N 1.351 0.694 0 C-N-CA 124.494 3.463 . . . . 0.0 116.624 -178.432 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 51.5 p-80 -66.37 -49.13 67.92 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.036 0.835 . . . . 0.0 112.775 179.533 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 63.3 mt -67.91 -35.67 78.87 Favored 'General case' 0 N--CA 1.473 0.691 0 O-C-N 121.545 -0.722 . . . . 0.0 111.486 176.491 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.0 ttmt -58.66 -46.22 87.64 Favored 'General case' 0 N--CA 1.472 0.661 0 C-N-CA 124.482 1.113 . . . . 0.0 110.483 175.173 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 74.9 m -64.08 -44.48 92.23 Favored 'General case' 0 N--CA 1.471 0.6 0 C-N-CA 123.276 0.63 . . . . 0.0 111.209 176.255 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.3 mm100 -61.37 -38.28 86.44 Favored 'General case' 0 N--CA 1.472 0.639 0 CA-C-N 119.036 0.835 . . . . 0.0 111.552 177.389 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.8 tm? -64.42 -47.3 79.65 Favored 'General case' 0 CA--C 1.539 0.524 0 C-N-CA 124.023 0.929 . . . . 0.0 110.538 176.948 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 46.9 mt-10 -60.15 -39.85 87.8 Favored 'General case' 0 N--CA 1.473 0.7 0 O-C-N 121.489 -0.757 . . . . 0.0 111.805 177.115 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.7 mt -63.33 -43.69 98.72 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.739 0 C-N-CA 124.003 0.921 . . . . 0.0 110.312 175.583 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 15.1 m-80 -63.34 -39.09 93.59 Favored 'General case' 0 CA--C 1.541 0.613 0 O-C-N 121.452 -0.78 . . . . 0.0 111.445 176.201 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.68 -50.37 68.34 Favored Glycine 0 CA--C 1.532 1.148 0 N-CA-C 110.953 -0.859 . . . . 0.0 110.953 175.401 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 38.4 mmm-85 -59.14 -42.98 91.98 Favored 'General case' 0 N--CA 1.475 0.776 0 C-N-CA 123.707 0.803 . . . . 0.0 112.214 175.314 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 55.3 t30 -58.52 -36.02 73.18 Favored 'General case' 0 CA--C 1.545 0.772 0 CA-C-N 118.878 0.763 . . . . 0.0 112.673 178.021 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 25.2 m-80 -69.94 -41.49 74.49 Favored 'General case' 0 CA--C 1.543 0.678 0 O-C-N 121.824 -0.548 . . . . 0.0 110.933 175.223 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.867 HD11 " H2'" ' B' ' 103' ' ' ' U' . 92.9 mt -66.11 -32.5 73.99 Favored 'General case' 0 N--CA 1.476 0.85 0 C-N-CA 123.554 0.742 . . . . 0.0 112.246 176.148 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 51.8 mt -66.06 -14.75 17.86 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.974 0 C-N-CA 126.056 1.742 . . . . 0.0 111.063 174.813 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 7.7 tt0 63.97 37.88 9.08 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.799 2.039 . . . . 0.0 114.02 175.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 50.4 tt0 -50.55 -30.31 12.79 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 125.208 1.403 . . . . 0.0 114.147 -179.896 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 40.6 ttmt -59.63 -30.25 68.58 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 125.506 1.523 . . . . 0.0 113.542 177.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 54.7 t-20 . . . . . 0 CA--C 1.544 0.726 0 C-N-CA 124.549 1.14 . . . . 0.0 112.025 179.613 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.46 0 O4'-C1'-N19 110.647 2.447 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.54 2.282 0 O4'-C1'-N19 111.434 3.234 . 0.04 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.249 0 O4'-C1'-N19 110.904 2.704 . 0.148 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.144 1 O4'-C1'-N19 112.494 4.294 . 0.043 2[ . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.395 1 O4'-C1'-N19 113.93 5.73 . 0.011 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -3.008 0 C1'-O4'-C4' 106.749 -3.168 OUTLIER-DELTA 0.0 OUTLIER '7D dist 0a' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.545 0 O3'-P-O5' 99.517 -2.36 . 0.0 OUTLIER '7D dist 1a' 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.598 2 C3'-C2'-C1' 106.277 5.308 . 0.063 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.867 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.617 2.428 2 O4'-C1'-N19 115.67 7.47 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.454 1 O4'-C1'-N19 113.594 5.394 . 0.436 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.77 3 O4'-C1'-N19 117.796 9.596 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.714 1 O4'-C1'-N19 112.639 4.439 . 0.0 OUTLIER '7D dist 5p wannabe' 0.0 . . . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.446 0 O4'-C1'-N19 111.139 2.939 . 0.025 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.3 0 O4'-C1'-N19 111.644 3.444 . 0.102 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.177 0 O4'-C1'-N19 110.967 2.767 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.9 ppp? . . . . . 0 CA--C 1.543 0.679 0 N-CA-C 114.301 1.223 . . . . 0.0 114.301 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -155.84 173.42 16.79 Favored 'General case' 0 CA--C 1.546 0.793 0 C-N-CA 125.867 1.667 . . . . 0.0 111.84 178.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 3.1 p -142.27 148.2 20.51 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.852 0 C-N-CA 125.807 1.643 . . . . 0.0 110.754 179.429 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 16.4 m -63.0 -17.6 62.36 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 116.406 2.002 . . . . 0.0 116.406 -175.424 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 23.6 m -142.3 160.89 19.73 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.986 0 C-N-CA 126.036 1.734 . . . . 0.0 111.183 -179.515 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.8 m -62.42 133.75 94.69 Favored Pre-proline 0 N--CA 1.476 0.842 0 C-N-CA 123.905 0.882 . . . . 0.0 110.685 179.666 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 60.2 Cg_endo -66.52 160.9 43.65 Favored 'Trans proline' 0 CA--C 1.539 0.773 0 C-N-CA 122.909 2.406 . . . . 0.0 113.022 -179.778 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 47.3 pt -79.95 159.65 4.33 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.756 0 C-N-CA 124.242 1.017 . . . . 0.0 112.605 179.299 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.5 mtt180 -75.74 147.14 39.54 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 124.816 1.246 . . . . 0.0 111.337 178.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.9 t0 -156.52 99.95 1.92 Allowed 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 124.674 1.19 . . . . 0.0 111.512 -178.643 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 41.6 p -53.47 -21.36 6.07 Favored 'General case' 0 N--CA 1.482 1.144 0 N-CA-C 115.162 1.541 . . . . 0.0 115.162 179.725 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 35.0 mmtp -62.49 -28.39 69.8 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 124.527 1.131 . . . . 0.0 113.654 179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.3 p-90 -82.36 -13.73 56.4 Favored 'General case' 0 N--CA 1.475 0.796 0 CA-C-N 118.476 0.58 . . . . 0.0 112.111 175.391 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 93.9 mt -103.81 -14.8 15.91 Favored 'General case' 0 CA--C 1.542 0.669 0 C-N-CA 125.599 1.56 . . . . 0.0 113.532 178.935 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.4 p -79.84 150.25 30.73 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 114.927 1.455 . . . . 0.0 114.927 -179.658 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 59.8 mt -134.69 138.29 44.29 Favored 'General case' 0 N--CA 1.469 0.507 0 C-N-CA 126.942 2.097 . . . . 0.0 108.622 174.119 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 48.6 mt-10 -76.76 148.62 36.57 Favored 'General case' 0 CA--C 1.54 0.574 0 N-CA-C 113.545 0.942 . . . . 0.0 113.545 -176.475 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 86.9 t -91.95 140.01 16.87 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.482 0 C-N-CA 126.55 1.94 . . . . 0.0 110.319 179.158 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -58.77 134.52 56.92 Favored 'General case' 0 CA--C 1.546 0.794 0 C-N-CA 124.282 1.033 . . . . 0.0 112.215 179.637 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 11.7 tpp180 -68.03 -42.09 81.15 Favored 'General case' 0 N--CA 1.473 0.687 0 O-C-N 121.227 -0.92 . . . . 0.0 111.404 179.211 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.1 mm-40 -67.75 -30.01 69.37 Favored 'General case' 0 CA--C 1.541 0.625 0 C-N-CA 123.09 0.556 . . . . 0.0 111.203 176.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -67.52 -44.39 78.49 Favored 'General case' 0 N--CA 1.468 0.471 0 O-C-N 120.759 -1.213 . . . . 0.0 110.669 175.034 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -63.24 -35.35 80.05 Favored 'General case' 0 N--CA 1.473 0.704 0 C-N-CA 123.998 0.919 . . . . 0.0 111.516 175.872 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 97.6 mtt180 -76.59 -13.14 60.09 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 125.369 1.468 . . . . 0.0 113.402 175.506 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 77.06 30.26 55.68 Favored Glycine 0 CA--C 1.537 1.451 0 C-N-CA 124.863 1.22 . . . . 0.0 113.974 -179.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 45.9 p -122.4 -18.16 6.83 Favored 'General case' 0 N--CA 1.478 0.935 0 N-CA-C 115.357 1.614 . . . . 0.0 115.357 -176.657 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.1 t -62.29 133.85 55.69 Favored 'General case' 0 CA--C 1.548 0.89 0 CA-C-N 120.02 1.282 . . . . 0.0 110.299 177.213 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.1 m -135.81 59.88 1.7 Allowed 'General case' 0 N--CA 1.476 0.867 0 C-N-CA 124.306 1.043 . . . . 0.0 113.222 -175.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 ptt180 -158.99 155.86 25.34 Favored Pre-proline 0 N--CA 1.479 0.985 0 C-N-CA 126.749 2.019 . . . . 0.0 110.435 176.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 63.7 Cg_endo -68.58 156.48 65.4 Favored 'Trans proline' 0 CA--C 1.535 0.571 0 C-N-CA 122.272 1.982 . . . . 0.0 112.888 -178.335 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.0 t70 -52.02 -32.58 34.8 Favored 'General case' 0 CA--C 1.544 0.718 0 C-N-CA 125.834 1.654 . . . . 0.0 113.379 178.102 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.6 m -70.49 -30.33 67.08 Favored 'General case' 0 N--CA 1.472 0.655 0 C-N-CA 125.264 1.425 . . . . 0.0 113.275 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 32.9 tt0 -91.3 -31.71 16.0 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 124.058 0.943 . . . . 0.0 112.483 -178.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.8 t -69.86 156.92 38.33 Favored 'General case' 0 CA--C 1.547 0.832 0 CA-C-O 122.263 1.03 . . . . 0.0 113.361 -179.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 29.7 mtpp -77.33 -11.51 59.84 Favored 'General case' 0 N--CA 1.476 0.873 0 C-N-CA 126.013 1.725 . . . . 0.0 113.886 -179.593 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 80.9 m-85 -139.22 -179.91 6.14 Favored 'General case' 0 CA--C 1.543 0.698 0 C-N-CA 126.388 1.875 . . . . 0.0 111.763 -177.308 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.84 147.19 23.92 Favored 'General case' 0 CA--C 1.545 0.771 0 N-CA-C 113.773 1.027 . . . . 0.0 113.773 -175.422 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.5 m170 -120.09 71.89 17.16 Favored Pre-proline 0 CA--C 1.555 1.152 0 C-N-CA 127.376 2.27 . . . . 0.0 110.615 178.307 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 89.0 Cg_endo -72.96 165.14 33.61 Favored 'Trans proline' 0 CA--C 1.537 0.673 0 C-N-CA 124.525 3.484 . . . . 0.0 114.613 -177.364 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.5 m -98.27 162.78 13.01 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 125.495 1.518 . . . . 0.0 110.037 175.713 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 26.2 pttm -55.72 -24.11 32.86 Favored 'General case' 0 N--CA 1.483 1.177 0 N-CA-C 115.348 1.61 . . . . 0.0 115.348 -179.3 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.6 m -83.28 -14.96 51.99 Favored 'General case' 0 N--CA 1.472 0.636 0 C-N-CA 125.315 1.446 . . . . 0.0 114.178 179.465 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 85.8 m -73.79 165.36 25.25 Favored 'General case' 0 CA--C 1.545 0.784 0 CA-C-N 119.103 0.865 . . . . 0.0 112.537 -179.751 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.0 mm-40 -74.81 44.28 0.22 Allowed 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 125.55 1.54 . . . . 0.0 112.923 177.154 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -67.21 125.36 24.52 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.819 1.247 . . . . 0.0 110.052 -179.181 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 8.8 tp10 -150.94 129.96 12.58 Favored 'General case' 0 CA--C 1.539 0.532 0 C-N-CA 124.613 1.165 . . . . 0.0 111.241 -177.669 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 63.9 t30 39.95 34.57 0.19 Allowed 'General case' 0 CA--C 1.559 1.296 0 N-CA-C 116.674 2.101 . . . . 0.0 116.674 177.051 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 95.2 10.09 57.53 Favored Glycine 0 CA--C 1.539 1.536 0 N-CA-C 116.329 1.292 . . . . 0.0 116.329 179.447 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 3.1 ppt_? -139.31 168.1 20.59 Favored 'General case' 0 N--CA 1.481 1.125 0 CA-C-N 119.635 1.718 . . . . 0.0 112.539 178.678 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.42 142.6 28.85 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.766 0 C-N-CA 124.731 1.212 . . . . 0.0 107.988 176.804 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 34.3 mt -77.81 125.77 37.69 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.673 0 N-CA-C 107.006 -1.479 . . . . 0.0 107.006 174.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -84.73 152.0 24.02 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 123.805 0.842 . . . . 0.0 112.636 -179.127 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 44.3 t -70.42 112.9 7.05 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 125.287 1.435 . . . . 0.0 111.135 -179.638 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 5.9 t80 -54.22 -38.84 66.14 Favored 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 126.112 1.765 . . . . 0.0 111.018 178.365 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 30.7 m-20 -74.32 -32.38 62.82 Favored 'General case' 0 CA--C 1.548 0.891 0 O-C-N 121.714 -0.616 . . . . 0.0 112.601 177.503 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.4 t -68.94 -38.77 79.69 Favored 'General case' 0 N--CA 1.476 0.872 0 O-C-N 120.862 -1.149 . . . . 0.0 110.375 172.067 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.0 OUTLIER -57.52 -23.12 48.5 Favored 'General case' 0 CA--C 1.544 0.72 0 C-N-CA 126.456 1.903 . . . . 0.0 111.947 173.908 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 61.9 mttp -104.99 2.83 30.01 Favored 'General case' 0 N--CA 1.475 0.808 0 C-N-CA 126.701 2.001 . . . . 0.0 113.678 176.487 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 87.56 7.75 75.05 Favored Glycine 0 CA--C 1.531 1.046 0 N-CA-C 118.28 2.072 . . . . 0.0 118.28 174.48 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.4 tpp180 -154.81 90.0 1.27 Allowed 'General case' 0 N--CA 1.476 0.864 0 CA-C-N 119.957 1.879 . . . . 0.0 112.368 178.46 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 38.1 t -51.17 134.03 27.52 Favored 'General case' 0 CA--C 1.547 0.855 0 C-N-CA 124.931 1.292 . . . . 0.0 110.801 177.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 58.0 m -136.42 19.9 3.14 Favored 'General case' 0 N--CA 1.477 0.877 0 N-CA-C 114.92 1.452 . . . . 0.0 114.92 -176.14 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -74.11 149.75 40.88 Favored 'General case' 0 N--CA 1.478 0.961 0 O-C-N 121.033 -1.042 . . . . 0.0 111.578 177.532 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 43.3 tt0 -61.83 -39.63 92.46 Favored 'General case' 0 N--CA 1.481 1.081 0 CA-C-O 121.976 0.893 . . . . 0.0 110.503 174.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 17.0 t30 -153.45 109.57 3.32 Favored 'General case' 0 CA--C 1.538 0.515 0 C-N-CA 128.881 2.873 . . . . 0.0 105.029 175.485 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.1 t -79.79 144.09 33.86 Favored 'General case' 0 CA--C 1.546 0.824 0 CA-C-O 121.893 0.854 . . . . 0.0 112.451 -173.604 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 37.6 ttpt -134.1 -6.76 2.68 Favored 'General case' 0 N--CA 1.479 1.016 0 C-N-CA 127.288 2.235 . . . . 0.0 114.083 -172.287 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 48.0 m-85 -96.59 170.13 9.41 Favored 'General case' 0 CA--C 1.545 0.758 0 C-N-CA 126.599 1.96 . . . . 0.0 112.583 -178.069 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.0 tp -84.53 135.1 34.36 Favored 'General case' 0 CA--C 1.541 0.603 0 O-C-N 121.158 -0.964 . . . . 0.0 110.766 -179.919 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 27.5 m170 -99.23 104.85 28.89 Favored Pre-proline 0 CA--C 1.545 0.757 0 N-CA-C 107.545 -1.28 . . . . 0.0 107.545 173.564 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -82.86 158.58 15.93 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 122.665 2.243 . . . . 0.0 113.96 -177.294 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 88.6 Cg_endo -72.88 160.73 45.39 Favored 'Trans proline' 0 CA--C 1.543 0.973 0 C-N-CA 123.479 2.786 . . . . 0.0 110.61 175.434 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.6 Cg_exo -43.73 -41.14 11.44 Favored 'Trans proline' 0 CA--C 1.538 0.71 0 C-N-CA 124.531 3.487 . . . . 0.0 116.508 -178.621 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 50.8 p-80 -67.5 -49.71 62.21 Favored 'General case' 0 N--CA 1.473 0.718 0 CA-C-N 119.186 0.903 . . . . 0.0 113.022 179.39 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 64.2 mt -68.36 -35.56 77.91 Favored 'General case' 0 N--CA 1.475 0.784 0 CA-C-N 119.085 0.857 . . . . 0.0 111.344 176.648 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 81.0 tttt -57.55 -47.04 83.11 Favored 'General case' 0 N--CA 1.474 0.745 0 C-N-CA 125.042 1.337 . . . . 0.0 110.392 174.083 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.8 m -63.61 -43.16 97.69 Favored 'General case' 0 N--CA 1.473 0.678 0 C-N-CA 123.259 0.623 . . . . 0.0 111.06 176.479 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 88.1 mm-40 -62.53 -35.87 80.82 Favored 'General case' 0 N--CA 1.47 0.55 0 CA-C-N 118.914 0.779 . . . . 0.0 111.659 176.877 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -63.41 -48.6 77.13 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 124.17 0.988 . . . . 0.0 110.211 176.234 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 44.7 mt-10 -60.16 -40.33 89.52 Favored 'General case' 0 CA--C 1.542 0.653 0 O-C-N 121.724 -0.61 . . . . 0.0 111.714 177.397 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 82.3 mt -62.72 -48.91 85.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.678 0 C-N-CA 123.503 0.721 . . . . 0.0 110.001 175.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 11.6 m-80 -59.36 -43.57 92.8 Favored 'General case' 0 N--CA 1.471 0.583 0 C-N-CA 123.958 0.903 . . . . 0.0 112.296 178.144 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.22 -55.88 27.99 Favored Glycine 0 CA--C 1.528 0.886 0 C-N-CA 123.791 0.71 . . . . 0.0 112.05 178.649 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 13.4 ttt85 -65.24 -39.97 93.42 Favored 'General case' 0 N--CA 1.471 0.621 0 N-CA-C 112.962 0.727 . . . . 0.0 112.962 179.118 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 7.4 t-20 -55.38 -43.06 74.79 Favored 'General case' 0 CA--C 1.54 0.587 0 C-N-CA 124.266 1.026 . . . . 0.0 110.897 175.099 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 43.0 t30 -63.43 -24.84 68.01 Favored 'General case' 0 CA--C 1.549 0.905 0 N-CA-C 113.356 0.873 . . . . 0.0 113.356 177.755 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.582 HD11 " H2'" ' B' ' 103' ' ' ' U' . 62.3 mt -82.05 -41.26 20.86 Favored 'General case' 0 N--CA 1.476 0.834 0 CA-C-N 119.203 0.91 . . . . 0.0 111.463 176.146 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 94.9 mt -65.97 -39.46 84.63 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.871 0 C-N-CA 124.841 1.256 . . . . 0.0 111.41 179.071 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 39.1 tt0 130.69 133.29 0.0 OUTLIER 'General case' 0 N--CA 1.477 0.912 1 C-N-CA 132.834 4.454 . . . . 0.0 106.269 -177.276 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 85.9 mt-30 -50.0 -31.87 13.81 Favored 'General case' 0 N--CA 1.476 0.837 0 N-CA-C 115.337 1.606 . . . . 0.0 115.337 -176.282 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 66.7 mttm -68.06 -20.36 64.96 Favored 'General case' 0 N--CA 1.48 1.032 0 C-N-CA 125.416 1.486 . . . . 0.0 114.016 176.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 42.4 t30 . . . . . 0 CA--C 1.54 0.565 0 C-N-CA 126.388 1.875 . . . . 0.0 111.343 -178.654 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.288 1 O4'-C1'-N19 115.171 6.971 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.283 1 O4'-C1'-N19 115.081 6.881 . 0.458 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 110.287 2.087 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.461 0 O4'-C1'-N19 110.652 2.452 . 0.674 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.567 0 O4'-C1'-C2' 101.544 -3.468 OUTLIER-DELTA 0.0 OUTLIER '7D dist 1[' 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.629 0 O3'-P-O5' 98.671 -2.805 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.625 0 P-O3'-C3' 121.945 1.871 . 0.265 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C4'-C3'-C2' 99.567 -3.133 . 0.189 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.582 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 O4'--C4' 1.426 -2.251 2 O4'-C1'-N19 115.376 7.176 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.733 0 C4'-C3'-C2' 99.914 -2.786 . 0.521 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.549 0 O4'-C1'-N19 111.154 2.954 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.694 1 O4'-C1'-N19 112.364 4.164 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.664 0 O4'-C1'-N19 110.812 2.612 . 0.092 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.279 0 O4'-C1'-N19 110.74 2.54 . 0.392 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.392 0 O3'-P-O5' 98.898 -2.685 . 0.503 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.4 ptt? . . . . . 0 CA--C 1.544 0.75 0 N-CA-C 113.02 0.748 . . . . 0.0 113.02 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -148.74 165.28 31.88 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 125.37 1.468 . . . . 0.0 111.749 179.096 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.5 m -140.88 163.64 21.69 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.011 0 C-N-CA 125.918 1.687 . . . . 0.0 111.616 179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 62.4 m -140.84 159.38 42.34 Favored 'General case' 0 N--CA 1.475 0.815 0 C-N-CA 125.42 1.488 . . . . 0.0 111.756 -179.812 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 13.1 p -151.98 157.45 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 125.487 1.515 . . . . 0.0 110.925 179.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 27.7 m -62.43 126.25 87.64 Favored Pre-proline 0 N--CA 1.475 0.792 0 C-N-CA 124.868 1.267 . . . . 0.0 111.006 179.83 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 95.8 Cg_endo -76.02 165.54 29.6 Favored 'Trans proline' 0 CA--C 1.538 0.705 0 C-N-CA 123.413 2.742 . . . . 0.0 112.906 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 45.7 pt -86.19 159.47 3.2 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.752 0 C-N-CA 124.224 1.01 . . . . 0.0 111.335 175.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 1.3 mpt_? -140.97 177.66 7.9 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 125.796 1.638 . . . . 0.0 110.564 178.533 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 23.7 t70 -58.59 99.8 0.05 Allowed 'General case' 0 CA--C 1.544 0.723 0 N-CA-C 114.397 1.258 . . . . 0.0 114.397 -177.062 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 37.7 p -68.77 -15.17 63.43 Favored 'General case' 0 N--CA 1.477 0.884 0 O-C-N 119.914 -1.741 . . . . 0.0 113.476 177.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 95.8 mttt -61.52 -30.45 70.64 Favored 'General case' 0 N--CA 1.476 0.851 0 C-N-CA 124.501 1.121 . . . . 0.0 113.372 -179.498 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.9 p-90 -79.95 -21.91 43.25 Favored 'General case' 0 CA--C 1.541 0.607 0 CA-C-O 119.099 -0.477 . . . . 0.0 111.726 175.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 74.9 mt -91.09 -18.14 25.02 Favored 'General case' 0 CA--C 1.546 0.816 0 C-N-CA 125.414 1.485 . . . . 0.0 113.343 177.092 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.9 p -79.81 149.2 31.12 Favored 'General case' 0 N--CA 1.48 1.028 0 CA-C-N 120.606 1.548 . . . . 0.0 114.801 -177.529 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 65.6 mt -134.03 142.86 47.76 Favored 'General case' 0 N--CA 1.473 0.7 0 C-N-CA 126.994 2.118 . . . . 0.0 109.441 173.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.5 tt0 -76.83 141.74 40.54 Favored 'General case' 0 CA--C 1.54 0.592 0 C-N-CA 124.513 1.125 . . . . 0.0 113.859 -176.36 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 91.4 t -85.41 140.03 16.56 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.574 0 C-N-CA 126.387 1.875 . . . . 0.0 109.971 177.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.3 t -58.86 133.42 56.0 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 124.064 0.945 . . . . 0.0 112.399 -179.211 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.7 ttp180 -64.4 -43.71 93.58 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 123.95 0.9 . . . . 0.0 111.413 -179.818 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 20.4 mm-40 -69.38 -31.66 70.2 Favored 'General case' 0 CA--C 1.541 0.609 0 C-N-CA 123.695 0.798 . . . . 0.0 111.705 179.099 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -64.65 -42.9 95.12 Favored 'General case' 0 N--CA 1.47 0.541 0 O-C-N 120.874 -1.141 . . . . 0.0 110.882 175.377 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.3 mt-30 -64.3 -16.17 61.65 Favored 'General case' 0 CA--C 1.544 0.732 0 C-N-CA 124.906 1.282 . . . . 0.0 113.267 175.854 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? -109.2 0.09 19.53 Favored 'General case' 0 N--CA 1.48 1.04 0 C-N-CA 126.516 1.926 . . . . 0.0 112.962 177.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 69.39 28.72 72.22 Favored Glycine 0 CA--C 1.538 1.474 0 C-N-CA 124.804 1.193 . . . . 0.0 114.563 179.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 34.8 p -117.93 -11.96 10.2 Favored 'General case' 0 N--CA 1.479 1.011 0 N-CA-C 115.102 1.519 . . . . 0.0 115.102 -176.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.0 t -67.44 146.1 54.35 Favored 'General case' 0 CA--C 1.547 0.864 0 CA-C-N 119.771 1.169 . . . . 0.0 111.089 176.852 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.12 59.74 1.56 Allowed 'General case' 0 CA--C 1.541 0.6 0 C-N-CA 124.243 1.017 . . . . 0.0 112.413 179.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.4 mtm180 -151.48 148.35 22.01 Favored Pre-proline 0 N--CA 1.478 0.926 0 C-N-CA 126.788 2.035 . . . . 0.0 110.309 177.328 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 93.3 Cg_endo -72.22 157.34 53.98 Favored 'Trans proline' 0 CA--C 1.538 0.68 0 C-N-CA 122.219 1.946 . . . . 0.0 110.116 175.681 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -51.77 -32.73 32.17 Favored 'General case' 0 N--CA 1.476 0.863 0 C-N-CA 124.111 0.964 . . . . 0.0 112.318 176.71 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.4 m -65.54 -23.38 66.85 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.372 2.269 . . . . 0.0 114.828 178.911 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 8.5 tp10 -117.47 -25.36 7.0 Favored 'General case' 0 N--CA 1.472 0.626 0 C-N-CA 124.369 1.067 . . . . 0.0 113.349 -176.259 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.9 t -69.58 153.78 42.95 Favored 'General case' 0 CA--C 1.548 0.867 0 CA-C-O 121.773 0.797 . . . . 0.0 112.082 178.795 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 23.1 ptmt -74.87 -7.54 53.8 Favored 'General case' 0 N--CA 1.476 0.869 0 C-N-CA 125.021 1.328 . . . . 0.0 114.566 -179.774 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 33.1 m-85 -139.19 -179.94 6.16 Favored 'General case' 0 CA--C 1.546 0.789 0 C-N-CA 126.527 1.931 . . . . 0.0 111.531 -179.005 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 144.83 25.63 Favored 'General case' 0 CA--C 1.546 0.816 0 N-CA-C 113.928 1.084 . . . . 0.0 113.928 -175.671 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.5 m170 -120.2 70.92 16.2 Favored Pre-proline 0 CA--C 1.554 1.122 0 C-N-CA 126.991 2.117 . . . . 0.0 111.413 177.69 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.1 Cg_endo -73.69 165.22 32.85 Favored 'Trans proline' 0 CA--C 1.537 0.649 0 C-N-CA 124.237 3.291 . . . . 0.0 114.537 -177.932 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.2 m -98.95 161.39 13.65 Favored 'General case' 0 N--CA 1.467 0.388 0 C-N-CA 125.448 1.499 . . . . 0.0 109.484 174.8 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 99.7 mttt -55.64 -26.06 42.35 Favored 'General case' 0 N--CA 1.482 1.17 0 N-CA-C 114.566 1.321 . . . . 0.0 114.566 -179.383 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.1 m -79.16 -15.97 57.32 Favored 'General case' 0 N--CA 1.471 0.608 0 C-N-CA 125.475 1.51 . . . . 0.0 114.328 178.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -76.78 163.28 26.95 Favored 'General case' 0 CA--C 1.544 0.715 0 CA-C-N 119.326 0.966 . . . . 0.0 112.801 -179.006 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 58.9 mm-40 -74.37 51.16 0.43 Allowed 'General case' 0 CA--C 1.549 0.928 0 C-N-CA 126.008 1.723 . . . . 0.0 112.746 177.012 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 6.2 t -74.53 128.52 36.7 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.689 0 C-N-CA 124.971 1.308 . . . . 0.0 109.605 179.014 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 44.1 tt0 -153.12 135.63 15.13 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 124.979 1.312 . . . . 0.0 111.201 -178.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.2 t30 44.9 37.75 2.54 Favored 'General case' 0 CA--C 1.553 1.063 0 C-N-CA 125.767 1.627 . . . . 0.0 114.999 178.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.32 14.0 82.09 Favored Glycine 0 CA--C 1.537 1.451 0 O-C-N 121.124 -0.985 . . . . 0.0 115.261 -179.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 9.0 mpt_? -131.26 166.83 20.32 Favored 'General case' 0 N--CA 1.476 0.864 0 C-N-CA 126.727 2.011 . . . . 0.0 110.608 179.584 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.54 139.41 38.64 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.845 0 C-N-CA 124.657 1.183 . . . . 0.0 108.097 175.218 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 40.8 mt -75.39 127.65 36.96 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.568 0 N-CA-C 107.373 -1.343 . . . . 0.0 107.373 174.693 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.27 152.11 25.3 Favored 'General case' 0 CA--C 1.543 0.703 0 C-N-CA 124.06 0.944 . . . . 0.0 112.496 179.679 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.4 t -70.35 109.26 4.63 Favored 'General case' 0 CA--C 1.547 0.854 0 C-N-CA 124.925 1.29 . . . . 0.0 110.888 179.18 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 52.2 t80 -59.73 -42.45 93.16 Favored 'General case' 0 N--CA 1.47 0.569 0 C-N-CA 123.834 0.854 . . . . 0.0 110.682 178.295 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 47.6 m-20 -60.64 -42.63 97.35 Favored 'General case' 0 CA--C 1.546 0.809 0 O-C-N 121.701 -0.624 . . . . 0.0 111.539 177.555 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.3 t -66.24 -40.51 90.3 Favored 'General case' 0 N--CA 1.472 0.64 0 O-C-N 121.231 -0.918 . . . . 0.0 111.716 174.511 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.1 mt -60.74 -32.99 72.25 Favored 'General case' 0 CA--C 1.541 0.631 0 C-N-CA 124.221 1.008 . . . . 0.0 112.177 176.386 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 75.0 mmtt -83.59 1.86 40.1 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.929 1.291 . . . . 0.0 112.642 174.459 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.06 8.6 66.66 Favored Glycine 0 CA--C 1.531 1.065 0 C-N-CA 126.539 2.019 . . . . 0.0 117.819 175.117 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 33.6 tpt85 -154.24 92.74 1.54 Allowed 'General case' 0 N--CA 1.473 0.723 0 CA-C-N 119.616 1.708 . . . . 0.0 112.081 177.569 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.4 t -54.17 136.47 42.46 Favored 'General case' 0 CA--C 1.549 0.936 0 C-N-CA 124.265 1.026 . . . . 0.0 109.241 175.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 60.0 m -137.38 34.28 2.51 Favored 'General case' 0 N--CA 1.477 0.887 0 N-CA-C 114.522 1.304 . . . . 0.0 114.522 -173.538 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 1.1 mpt_? -123.36 139.23 54.24 Favored 'General case' 0 N--CA 1.479 1.0 0 C-N-CA 124.896 1.278 . . . . 0.0 111.706 179.132 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 9.1 tp10 -77.67 -31.39 52.5 Favored 'General case' 0 N--CA 1.475 0.804 0 C-N-CA 124.68 1.192 . . . . 0.0 112.105 179.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.7 t30 -132.29 76.11 1.68 Allowed 'General case' 0 CA--C 1.541 0.633 0 C-N-CA 126.861 2.065 . . . . 0.0 108.064 178.629 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.0 t -79.74 112.01 16.6 Favored 'General case' 0 CA--C 1.546 0.791 0 CA-C-O 122.346 1.07 . . . . 0.0 110.132 -173.514 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.4 pttt -100.34 6.23 44.52 Favored 'General case' 0 N--CA 1.48 1.031 0 C-N-CA 127.212 2.205 . . . . 0.0 114.509 -175.642 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.8 m-85 -104.58 168.92 8.77 Favored 'General case' 0 CA--C 1.539 0.539 0 C-N-CA 125.304 1.442 . . . . 0.0 112.529 -177.248 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 31.6 tp -84.81 135.21 34.2 Favored 'General case' 0 CA--C 1.537 0.48 0 C-N-CA 124.053 0.941 . . . . 0.0 111.143 -179.781 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.8 m170 -103.53 104.61 42.77 Favored Pre-proline 0 CA--C 1.546 0.792 0 N-CA-C 106.474 -1.676 . . . . 0.0 106.474 170.859 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 44.9 Cg_endo -87.55 159.14 7.91 Favored 'Trans proline' 0 CA--C 1.545 1.063 0 C-N-CA 123.1 2.533 . . . . 0.0 112.95 -178.298 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -73.63 160.28 44.33 Favored 'Trans proline' 0 CA--C 1.542 0.898 0 C-N-CA 123.429 2.753 . . . . 0.0 111.967 177.137 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 80.1 Cg_exo -45.43 -43.79 17.17 Favored 'Trans proline' 0 C--N 1.35 0.651 0 C-N-CA 124.293 3.329 . . . . 0.0 115.849 -179.875 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 35.9 p-80 -61.74 -31.64 71.83 Favored 'General case' 0 N--CA 1.476 0.853 0 N-CA-C 113.625 0.972 . . . . 0.0 113.625 178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 29.2 mt -86.01 -31.44 22.01 Favored 'General case' 0 CA--C 1.539 0.553 0 C-N-CA 123.997 0.919 . . . . 0.0 111.389 174.397 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.6 mttt -57.41 -40.34 78.08 Favored 'General case' 0 N--CA 1.48 1.065 0 CA-C-N 119.407 1.003 . . . . 0.0 110.713 173.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.5 m -59.93 -41.59 92.11 Favored 'General case' 0 N--CA 1.474 0.731 0 CA-C-N 118.222 0.464 . . . . 0.0 111.809 175.664 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 45.0 mm-40 -66.41 -38.91 88.52 Favored 'General case' 0 N--CA 1.473 0.705 0 O-C-N 121.305 -0.872 . . . . 0.0 110.825 178.021 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -61.57 -46.49 89.66 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 124.479 1.111 . . . . 0.0 110.142 176.058 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 38.1 mt-10 -62.72 -39.36 93.8 Favored 'General case' 0 CA--C 1.538 0.488 0 O-C-N 121.668 -0.645 . . . . 0.0 111.89 177.437 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 71.0 mt -62.69 -47.18 94.14 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.646 0 O-C-N 121.407 -0.808 . . . . 0.0 109.68 175.416 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.1 OUTLIER -62.66 -37.33 85.98 Favored 'General case' 0 CA--C 1.541 0.597 0 C-N-CA 123.38 0.672 . . . . 0.0 112.188 178.125 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -75.02 -53.28 6.31 Favored Glycine 0 CA--C 1.528 0.879 0 C-N-CA 123.515 0.578 . . . . 0.0 112.913 -179.149 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 36.8 ttp180 -61.44 -30.62 70.69 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 123.986 0.914 . . . . 0.0 113.026 -179.475 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -55.14 -34.12 63.48 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.067 0.947 . . . . 0.0 112.539 174.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 76.2 m-20 -73.57 -25.53 60.41 Favored 'General case' 0 CA--C 1.543 0.676 0 O-C-N 121.355 -0.841 . . . . 0.0 112.301 177.544 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.584 HD11 " H2'" ' B' ' 103' ' ' ' U' . 18.1 mt -85.18 -33.91 22.2 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.865 1.266 . . . . 0.0 112.105 -179.387 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.4 mt -64.23 -35.0 72.6 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.857 0 C-N-CA 125.256 1.423 . . . . 0.0 111.712 178.308 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 54.7 mt-30 -63.74 154.91 31.76 Favored 'General case' 0 CA--C 1.542 0.663 0 C-N-CA 124.569 1.148 . . . . 0.0 113.255 179.525 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 54.7 tt0 -52.77 -27.57 18.51 Favored 'General case' 0 N--CA 1.476 0.843 0 C-N-CA 125.808 1.643 . . . . 0.0 114.496 -179.644 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 14.6 mmmm -62.98 -23.88 67.64 Favored 'General case' 0 N--CA 1.478 0.956 0 C-N-CA 125.113 1.365 . . . . 0.0 113.339 177.155 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 28.0 t-20 . . . . . 0 CA--C 1.541 0.616 0 C-N-CA 126.015 1.726 . . . . 0.0 110.282 179.732 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.628 3.497 0 O4'-C1'-N19 111.16 2.96 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 1 C3'-C2'-C1' 105.198 4.109 OUTLIER-DELTA 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.317 1 O4'-C1'-N19 115.488 7.288 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.289 0 O4'-C1'-N19 111.592 3.392 . 0.155 2[ . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.756 0 O4'-C1'-N19 111.137 2.937 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.111 1 O4'-C1'-N19 112.583 4.383 . 0.01 1o . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.678 0 O4'-C1'-N19 111.658 3.458 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.334 2 O4'-C1'-N19 112.806 4.606 . 0.071 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.584 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 O4'--C4' 1.423 -2.463 2 O4'-C1'-N19 113.987 5.787 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.597 0 C4'-C3'-C2' 99.135 -3.565 . 0.209 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.414 -3.269 0 C4'-C3'-C2' 100.152 -2.548 . 0.154 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.788 1 O4'-C1'-N19 112.687 4.487 . 0.194 7d . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.514 0 C3'-C2'-C1' 103.856 2.618 . 0.422 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.383 0 P-O3'-C3' 122.338 2.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.149 0 O4'-C1'-N19 111.239 3.039 . 0.225 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 CA--C 1.542 0.654 0 N-CA-C 114.06 1.133 . . . . 0.0 114.06 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -134.31 13.22 3.85 Favored 'General case' 0 CA--C 1.549 0.931 0 C-N-CA 125.635 1.574 . . . . 0.0 113.717 -178.173 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 16.0 m -140.61 161.01 24.38 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.899 0 C-N-CA 126.381 1.872 . . . . 0.0 111.045 179.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.6 t -125.33 -177.33 3.84 Favored 'General case' 0 N--CA 1.472 0.65 0 C-N-CA 125.121 1.368 . . . . 0.0 112.038 -179.426 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 15.3 t -62.48 135.09 27.38 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.664 0 C-N-CA 125.165 1.386 . . . . 0.0 111.724 -177.834 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 43.0 m -104.36 137.55 19.26 Favored Pre-proline 0 N--CA 1.477 0.923 0 C-N-CA 125.734 1.614 . . . . 0.0 109.371 176.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 76.4 Cg_exo -51.36 -35.68 55.01 Favored 'Trans proline' 0 CA--C 1.541 0.867 0 C-N-CA 123.754 2.969 . . . . 0.0 115.131 179.822 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 46.4 pt -120.06 160.13 20.73 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.734 0 C-N-CA 126.969 2.107 . . . . 0.0 111.044 176.749 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.413 ' HD3' ' C6 ' ' B' ' 102' ' ' ' U' . 15.3 ptp180 -58.3 107.66 0.52 Allowed 'General case' 0 N--CA 1.479 0.983 0 C-N-CA 124.295 1.038 . . . . 0.0 111.303 177.376 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 21.6 t70 -57.44 99.91 0.04 OUTLIER 'General case' 0 CA--C 1.547 0.829 0 C-N-CA 127.416 2.287 . . . . 0.0 116.858 -172.837 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 31.4 p -61.02 -18.58 58.52 Favored 'General case' 0 N--CA 1.481 1.121 0 O-C-N 119.741 -1.849 . . . . 0.0 114.346 175.467 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 27.6 mmmt -65.99 -26.58 67.62 Favored 'General case' 0 N--CA 1.475 0.798 0 N-CA-C 113.878 1.066 . . . . 0.0 113.878 -178.274 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.9 p-90 -77.32 -24.97 50.76 Favored 'General case' 0 CA--C 1.545 0.757 0 CA-C-N 118.217 0.462 . . . . 0.0 111.167 173.85 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 60.1 mt -86.81 -18.09 31.88 Favored 'General case' 0 CA--C 1.547 0.847 0 C-N-CA 125.345 1.458 . . . . 0.0 113.074 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.8 149.9 30.9 Favored 'General case' 0 N--CA 1.481 1.111 0 CA-C-N 121.106 1.776 . . . . 0.0 114.608 -177.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 77.2 mt -131.93 140.66 49.09 Favored 'General case' 0 N--CA 1.472 0.664 0 C-N-CA 126.98 2.112 . . . . 0.0 108.823 174.391 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 50.0 mt-10 -74.33 147.75 41.95 Favored 'General case' 0 N--CA 1.471 0.579 0 N-CA-C 113.535 0.939 . . . . 0.0 113.535 -178.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.4 t -89.54 140.01 16.54 Favored 'Isoleucine or valine' 0 N--CA 1.471 0.579 0 C-N-CA 125.967 1.707 . . . . 0.0 109.703 177.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 33.4 t -59.2 132.68 54.73 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 124.24 1.016 . . . . 0.0 112.499 -179.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 78.7 ttt180 -65.18 -38.79 91.63 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 124.238 1.015 . . . . 0.0 112.104 -179.742 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.5 mt-10 -74.84 -31.05 61.56 Favored 'General case' 0 CA--C 1.539 0.547 0 C-N-CA 123.498 0.719 . . . . 0.0 111.913 178.438 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 85.9 t80 -63.73 -42.5 97.88 Favored 'General case' 0 N--CA 1.47 0.573 0 O-C-N 120.858 -1.151 . . . . 0.0 110.812 175.286 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 42.6 mt-30 -61.72 -16.15 46.77 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.841 1.656 . . . . 0.0 113.485 175.123 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 87.0 mmt-85 -115.23 0.05 13.4 Favored 'General case' 0 N--CA 1.477 0.892 0 C-N-CA 126.391 1.877 . . . . 0.0 113.431 179.449 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 70.33 29.64 69.98 Favored Glycine 0 CA--C 1.536 1.355 0 C-N-CA 124.916 1.246 . . . . 0.0 114.665 179.259 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 36.5 p -118.08 -7.68 10.79 Favored 'General case' 0 N--CA 1.479 1.004 0 N-CA-C 115.138 1.533 . . . . 0.0 115.138 -176.92 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.0 t -71.02 150.04 46.0 Favored 'General case' 0 CA--C 1.55 0.95 0 CA-C-N 119.332 0.969 . . . . 0.0 111.416 177.4 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 67.5 m -139.77 59.84 1.58 Allowed 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 124.652 1.181 . . . . 0.0 112.653 -179.54 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.1 mtt180 -154.91 149.09 19.24 Favored Pre-proline 0 N--CA 1.479 1.006 0 C-N-CA 126.742 2.017 . . . . 0.0 110.59 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.2 Cg_endo -72.85 159.67 47.76 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.146 1.897 . . . . 0.0 109.459 173.226 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 22.5 t70 -51.09 -33.69 27.21 Favored 'General case' 0 N--CA 1.477 0.888 0 C-N-CA 123.985 0.914 . . . . 0.0 112.272 176.718 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -62.76 -26.07 68.52 Favored 'General case' 0 N--CA 1.468 0.46 0 C-N-CA 127.602 2.361 . . . . 0.0 114.759 178.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -120.07 -15.58 8.72 Favored 'General case' 0 N--CA 1.476 0.856 0 N-CA-C 114.868 1.433 . . . . 0.0 114.868 -175.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -75.26 158.87 32.24 Favored 'General case' 0 CA--C 1.551 0.983 0 CA-C-N 119.111 0.869 . . . . 0.0 111.702 178.007 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 37.3 ttpt -72.78 -16.23 61.63 Favored 'General case' 0 N--CA 1.477 0.887 0 C-N-CA 125.532 1.533 . . . . 0.0 113.408 179.821 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -135.71 -179.93 5.95 Favored 'General case' 0 CA--C 1.546 0.796 0 C-N-CA 126.349 1.859 . . . . 0.0 111.983 -177.512 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.79 146.5 24.42 Favored 'General case' 0 CA--C 1.547 0.829 0 N-CA-C 113.519 0.933 . . . . 0.0 113.519 -175.723 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.7 m170 -120.21 70.3 15.58 Favored Pre-proline 0 CA--C 1.554 1.109 0 C-N-CA 127.135 2.174 . . . . 0.0 111.121 178.201 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 93.9 Cg_endo -71.7 165.18 33.33 Favored 'Trans proline' 0 CA--C 1.538 0.697 0 C-N-CA 124.14 3.227 . . . . 0.0 114.477 -177.823 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 73.9 m -99.77 165.3 11.65 Favored 'General case' 0 N--CA 1.468 0.472 0 C-N-CA 125.256 1.423 . . . . 0.0 110.34 175.735 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 16.1 tppt? -55.66 -27.21 48.74 Favored 'General case' 0 N--CA 1.482 1.154 0 C-N-CA 125.126 1.37 . . . . 0.0 114.62 -179.05 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 53.7 m -85.78 -8.77 57.92 Favored 'General case' 0 N--CA 1.475 0.816 0 C-N-CA 124.883 1.273 . . . . 0.0 114.339 178.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 80.7 m -77.97 163.6 25.83 Favored 'General case' 0 CA--C 1.543 0.704 0 CA-C-N 119.423 1.01 . . . . 0.0 112.561 -179.913 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 23.5 mm-40 -72.64 45.22 0.14 Allowed 'General case' 0 CA--C 1.549 0.921 0 C-N-CA 126.947 2.099 . . . . 0.0 113.576 177.325 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.45 121.23 19.75 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.69 0 C-N-CA 124.836 1.254 . . . . 0.0 109.964 179.634 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 31.2 tt0 -152.39 134.7 15.12 Favored 'General case' 0 N--CA 1.471 0.59 0 C-N-CA 124.574 1.15 . . . . 0.0 110.979 -178.534 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 46.53 36.23 3.44 Favored 'General case' 0 CA--C 1.555 1.15 0 C-N-CA 125.633 1.573 . . . . 0.0 114.884 -179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.48 13.76 82.88 Favored Glycine 0 CA--C 1.537 1.421 0 O-C-N 121.064 -1.022 . . . . 0.0 115.136 -179.374 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.7 mpt_? -130.64 167.44 18.75 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 126.769 2.027 . . . . 0.0 111.167 -179.919 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.21 135.98 41.62 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.757 0 C-N-CA 125.241 1.416 . . . . 0.0 107.658 173.238 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 73.8 mt -74.78 129.72 36.54 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.666 0 N-CA-C 107.23 -1.396 . . . . 0.0 107.23 175.221 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.61 151.3 32.41 Favored 'General case' 0 CA--C 1.544 0.713 0 C-N-CA 123.509 0.723 . . . . 0.0 112.275 179.428 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.8 t -75.99 106.21 7.46 Favored 'General case' 0 CA--C 1.544 0.726 0 C-N-CA 125.101 1.36 . . . . 0.0 109.3 177.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 57.8 t80 -56.75 -37.28 70.83 Favored 'General case' 0 N--CA 1.472 0.63 0 O-C-N 121.007 -1.058 . . . . 0.0 111.507 179.665 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 63.2 m-20 -65.2 -33.49 76.13 Favored 'General case' 0 CA--C 1.549 0.933 0 O-C-N 121.344 -0.848 . . . . 0.0 111.421 175.2 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 31.1 t -70.07 -39.33 75.68 Favored 'General case' 0 N--CA 1.473 0.683 0 O-C-N 120.934 -1.104 . . . . 0.0 110.676 172.683 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 85.9 mt -60.37 -33.14 72.03 Favored 'General case' 0 N--CA 1.477 0.883 0 CA-C-N 119.163 0.892 . . . . 0.0 111.079 175.043 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -77.43 -10.04 59.23 Favored 'General case' 0 N--CA 1.477 0.876 0 C-N-CA 125.466 1.506 . . . . 0.0 112.512 175.49 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.09 10.27 64.6 Favored Glycine 0 CA--C 1.533 1.207 0 C-N-CA 126.415 1.959 . . . . 0.0 116.051 177.58 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.3 tpp180 -154.95 91.74 1.39 Allowed 'General case' 0 N--CA 1.472 0.671 0 CA-C-N 119.0 1.4 . . . . 0.0 111.755 178.227 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.6 t -55.85 137.23 50.63 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.736 1.214 . . . . 0.0 110.787 176.408 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 88.7 p -149.04 19.81 0.98 Allowed 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 115.974 1.842 . . . . 0.0 115.974 -177.949 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 19.8 tpp180 -83.91 125.49 32.06 Favored 'General case' 0 N--CA 1.48 1.038 0 O-C-N 120.833 -1.167 . . . . 0.0 109.466 175.659 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -53.72 -26.89 25.15 Favored 'General case' 0 N--CA 1.484 1.269 0 N-CA-C 115.902 1.816 . . . . 0.0 115.902 -176.402 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 40.6 t30 -146.24 80.4 1.56 Allowed 'General case' 0 CA--C 1.543 0.692 0 C-N-CA 127.338 2.255 . . . . 0.0 107.38 -179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 35.0 t -79.78 132.73 36.22 Favored 'General case' 0 CA--C 1.546 0.803 0 CA-C-O 121.967 0.889 . . . . 0.0 111.759 -172.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 59.5 pttt -134.02 3.28 3.43 Favored 'General case' 0 N--CA 1.479 0.985 0 C-N-CA 127.325 2.25 . . . . 0.0 114.782 -175.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 35.0 m-85 -94.18 169.97 9.86 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 125.343 1.457 . . . . 0.0 112.011 -179.202 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.0 tp -84.73 135.06 34.3 Favored 'General case' 0 CA--C 1.541 0.609 0 O-C-N 121.071 -1.018 . . . . 0.0 111.429 -179.194 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 28.9 m170 -99.5 104.81 29.61 Favored Pre-proline 0 CA--C 1.544 0.738 0 N-CA-C 107.341 -1.355 . . . . 0.0 107.341 173.686 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -82.33 146.1 13.79 Favored 'Trans proline' 0 CA--C 1.543 0.962 0 C-N-CA 122.206 1.937 . . . . 0.0 113.578 -176.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 86.9 Cg_endo -70.13 161.98 43.97 Favored 'Trans proline' 0 CA--C 1.545 1.031 0 C-N-CA 123.361 2.707 . . . . 0.0 109.808 173.349 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 96.9 Cg_exo -43.15 -42.34 9.79 Favored 'Trans proline' 0 CA--C 1.539 0.756 0 C-N-CA 124.235 3.29 . . . . 0.0 116.877 -177.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 39.7 p-80 -66.36 -45.23 80.83 Favored 'General case' 0 N--CA 1.475 0.783 0 CA-C-N 119.472 1.033 . . . . 0.0 112.971 178.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 44.3 mt -72.14 -33.87 68.09 Favored 'General case' 0 N--CA 1.474 0.737 0 O-C-N 121.384 -0.823 . . . . 0.0 111.26 175.783 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 39.0 ttmt -61.13 -39.76 91.24 Favored 'General case' 0 N--CA 1.474 0.773 0 C-N-CA 124.737 1.215 . . . . 0.0 110.612 175.039 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.6 m -66.84 -42.65 85.42 Favored 'General case' 0 N--CA 1.473 0.715 0 C-N-CA 123.788 0.835 . . . . 0.0 110.483 174.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 76.0 mt-30 -62.23 -36.69 82.78 Favored 'General case' 0 N--CA 1.472 0.626 0 O-C-N 121.393 -0.817 . . . . 0.0 111.156 175.843 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -61.9 -49.02 77.86 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 124.43 1.092 . . . . 0.0 109.868 175.722 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 43.6 tt0 -57.87 -42.79 85.3 Favored 'General case' 0 N--CA 1.472 0.644 0 C-N-CA 123.264 0.626 . . . . 0.0 111.959 177.157 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.5 mt -64.05 -47.64 89.43 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 123.955 0.902 . . . . 0.0 110.575 177.117 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.7 m-80 -62.36 -41.37 98.55 Favored 'General case' 0 N--CA 1.472 0.629 0 CA-C-N 118.787 0.721 . . . . 0.0 111.568 177.549 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -59.09 -56.41 25.44 Favored Glycine 0 CA--C 1.524 0.622 0 C-N-CA 124.251 0.929 . . . . 0.0 110.875 176.626 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 75.3 mtm180 -61.43 -36.58 80.74 Favored 'General case' 0 N--CA 1.471 0.595 0 N-CA-C 113.233 0.827 . . . . 0.0 113.233 178.335 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 21.3 t-20 -59.22 -44.73 92.29 Favored 'General case' 0 CA--C 1.545 0.782 0 CA-C-N 119.303 0.956 . . . . 0.0 111.925 176.114 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 34.4 m-80 -70.25 -39.76 74.83 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 123.319 0.647 . . . . 0.0 111.723 176.357 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 42.4 tp -62.57 -25.0 67.84 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 126.639 1.976 . . . . 0.0 114.432 -179.862 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 47.8 mt -64.23 -35.42 73.93 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.927 0 CA-C-O 118.219 -0.896 . . . . 0.0 111.598 178.164 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 37.9 mm-40 61.76 141.89 0.01 OUTLIER 'General case' 0 N--CA 1.481 1.086 0 C-N-CA 128.73 2.812 . . . . 0.0 116.053 177.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 17.3 pt20 -70.0 -24.36 63.29 Favored 'General case' 0 N--CA 1.476 0.858 0 O-C-N 120.483 -1.385 . . . . 0.0 114.02 178.479 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 30.5 mmmt -74.12 -19.71 60.49 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 125.493 1.517 . . . . 0.0 113.48 -179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 57.1 t-20 . . . . . 0 CA--C 1.543 0.673 0 C-N-CA 126.749 2.02 . . . . 0.0 113.26 -179.128 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.63 3.686 1 O4'-C1'-N19 113.522 5.322 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.74 0 C3'-C2'-C1' 104.446 3.273 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . 0.43 " C2'" ' H1 ' ' B' ' 100' ' ' ' G' . . . . . . . . 0 O4'--C4' 1.423 -2.468 0 O4'-C1'-N19 111.245 3.045 . 0.022 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 116.908 8.708 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.666 1 O4'-C1'-N19 115.754 7.554 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . 0.43 ' H1 ' " C2'" ' B' ' 97' ' ' ' C' . . . . . . . . 0 O4'--C4' 1.423 -2.475 0 O4'-C1'-N19 111.559 3.359 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.496 0 O4'-C1'-N19 111.882 3.682 . 0.0 OUTLIER '7D dist 2a' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.413 ' C6 ' ' HD3' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.419 -2.868 0 C5'-C4'-O4' 114.522 3.802 . 0.062 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.582 3 O4'-C1'-N19 115.135 6.935 . 0.0 OUTLIER '7D dist &a' 0.0 . . . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.703 2 C5'-C4'-O4' 115.689 4.635 . 0.286 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.617 0 P-O3'-C3' 123.158 2.882 . 0.0 OUTLIER '7D dist 7d' 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.487 0 O4'-C4'-C3' 108.531 2.165 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.955 0 O4'-C1'-N19 111.4 3.2 . 0.243 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.322 0 O4'-C1'-N19 111.224 3.024 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.933 0 C3'-C2'-C1' 103.375 2.083 . 0.096 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 90.3 mtp . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 113.326 0.861 . . . . 0.0 113.326 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -132.63 2.44 3.77 Favored 'General case' 0 CA--C 1.549 0.905 0 C-N-CA 125.566 1.547 . . . . 0.0 114.199 -178.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 17.6 t -142.44 143.99 25.31 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 C-N-CA 125.915 1.686 . . . . 0.0 109.405 179.174 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 85.6 p -158.77 169.83 23.51 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 125.578 1.551 . . . . 0.0 112.022 179.42 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 44.3 t -138.83 148.11 24.44 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.931 0 C-N-CA 126.082 1.753 . . . . 0.0 109.29 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -62.41 135.82 95.51 Favored Pre-proline 0 N--CA 1.478 0.929 0 C-N-CA 124.722 1.209 . . . . 0.0 111.273 -178.658 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 87.1 Cg_exo -47.4 -45.64 22.14 Favored 'Trans proline' 0 C--N 1.354 0.855 0 C-N-CA 124.051 3.168 . . . . 0.0 114.834 -179.431 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.1 pt -120.26 147.58 23.91 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.684 0 C-N-CA 125.12 1.368 . . . . 0.0 111.059 174.115 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 84.6 mtt180 -148.99 172.45 14.71 Favored 'General case' 0 N--CA 1.481 1.09 0 C-N-CA 128.22 2.608 . . . . 0.0 109.987 178.666 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 45.1 t0 -142.64 99.96 3.58 Favored 'General case' 0 N--CA 1.471 0.622 0 CA-C-O 121.907 0.86 . . . . 0.0 113.171 -175.059 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 26.1 p -64.23 -17.9 64.02 Favored 'General case' 0 N--CA 1.477 0.922 0 N-CA-C 115.238 1.57 . . . . 0.0 115.238 179.293 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -58.5 -30.42 67.02 Favored 'General case' 0 N--CA 1.482 1.134 0 CA-C-N 120.147 1.34 . . . . 0.0 113.907 -177.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 7.1 p-90 -80.41 -15.39 56.93 Favored 'General case' 0 CA--C 1.539 0.551 0 N-CA-C 112.636 0.606 . . . . 0.0 112.636 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 18.1 mt -105.49 -15.16 15.08 Favored 'General case' 0 N--CA 1.471 0.621 0 C-N-CA 125.942 1.697 . . . . 0.0 113.499 178.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.3 p -79.94 151.09 30.27 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-N 120.014 1.279 . . . . 0.0 113.648 177.74 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 44.6 mt -131.85 150.74 52.06 Favored 'General case' 0 N--CA 1.47 0.571 0 C-N-CA 126.871 2.068 . . . . 0.0 108.837 172.828 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 28.3 tt0 -87.82 139.19 30.78 Favored 'General case' 0 N--CA 1.469 0.513 0 N-CA-C 113.515 0.931 . . . . 0.0 113.515 -176.416 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 72.0 t -79.73 139.98 17.45 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.528 0 C-N-CA 125.488 1.515 . . . . 0.0 109.759 177.919 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.6 t -56.57 130.42 45.05 Favored 'General case' 0 CA--C 1.54 0.586 0 C-N-CA 123.934 0.894 . . . . 0.0 111.285 179.535 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.483 ' NH2' HE22 ' A' ' 23' ' ' GLN . 16.8 mmm180 -65.11 -33.35 75.81 Favored 'General case' 0 N--CA 1.473 0.696 0 C-N-CA 123.941 0.896 . . . . 0.0 112.063 -175.543 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 41.5 mt-10 -80.09 -32.21 39.21 Favored 'General case' 0 CA--C 1.54 0.56 0 C-N-CA 124.74 1.216 . . . . 0.0 112.396 177.065 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 88.6 t80 -62.56 -39.35 93.36 Favored 'General case' 0 N--CA 1.472 0.66 0 O-C-N 121.25 -0.906 . . . . 0.0 111.488 177.109 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . 0.483 HE22 ' NH2' ' A' ' 20' ' ' ARG . 38.3 mt-30 -60.26 -16.02 30.2 Favored 'General case' 0 CA--C 1.546 0.814 0 C-N-CA 125.909 1.684 . . . . 0.0 113.542 175.192 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 81.1 mmt-85 -116.9 0.08 12.37 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.648 1.979 . . . . 0.0 112.885 178.319 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 73.79 14.77 79.76 Favored Glycine 0 CA--C 1.537 1.426 0 C-N-CA 125.464 1.507 . . . . 0.0 114.493 -179.465 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 5.9 m -86.95 -28.27 22.82 Favored 'General case' 0 N--CA 1.477 0.883 0 C-N-CA 124.752 1.221 . . . . 0.0 113.164 -177.507 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 5.9 t -67.31 141.01 57.31 Favored 'General case' 0 CA--C 1.549 0.92 0 C-N-CA 123.927 0.891 . . . . 0.0 111.956 -179.842 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 36.7 p -140.02 59.83 1.57 Allowed 'General case' 0 N--CA 1.474 0.775 0 C-N-CA 125.449 1.5 . . . . 0.0 111.991 -179.684 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.9 ttm180 -151.59 142.73 15.45 Favored Pre-proline 0 N--CA 1.476 0.846 0 C-N-CA 126.606 1.962 . . . . 0.0 109.967 -179.225 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 74.3 Cg_endo -69.16 154.62 69.81 Favored 'Trans proline' 0 CA--C 1.537 0.641 0 C-N-CA 122.115 1.877 . . . . 0.0 112.069 179.384 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.2 t70 -51.19 -33.59 28.03 Favored 'General case' 0 N--CA 1.477 0.875 0 C-N-CA 124.943 1.297 . . . . 0.0 112.732 177.596 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.5 m -64.27 -23.38 67.28 Favored 'General case' 0 N--CA 1.468 0.44 0 C-N-CA 127.314 2.246 . . . . 0.0 114.694 179.448 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 36.4 tt0 -119.94 -21.6 7.07 Favored 'General case' 0 N--CA 1.472 0.669 0 N-CA-C 113.812 1.041 . . . . 0.0 113.812 -176.139 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -70.45 156.15 39.75 Favored 'General case' 0 CA--C 1.55 0.953 0 CA-C-O 121.992 0.901 . . . . 0.0 112.052 178.651 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 65.7 tttp -69.31 -22.0 63.82 Favored 'General case' 0 N--CA 1.476 0.858 0 C-N-CA 125.877 1.671 . . . . 0.0 113.228 179.639 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 72.3 m-85 -132.22 -179.87 5.69 Favored 'General case' 0 CA--C 1.542 0.661 0 C-N-CA 126.38 1.872 . . . . 0.0 112.529 -175.903 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.74 145.39 25.23 Favored 'General case' 0 CA--C 1.546 0.789 0 N-CA-C 114.146 1.165 . . . . 0.0 114.146 -174.581 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 41.7 m170 -120.18 73.37 19.94 Favored Pre-proline 0 CA--C 1.553 1.076 0 C-N-CA 127.031 2.132 . . . . 0.0 110.819 177.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 83.8 Cg_endo -70.14 165.15 32.38 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 124.426 3.417 . . . . 0.0 114.554 -178.01 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 58.8 p -100.41 171.66 7.62 Favored 'General case' 0 N--CA 1.468 0.438 0 C-N-CA 125.731 1.612 . . . . 0.0 111.543 177.545 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -59.25 -21.03 58.95 Favored 'General case' 0 N--CA 1.478 0.968 0 N-CA-C 114.402 1.26 . . . . 0.0 114.402 176.538 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 27.0 m -91.66 -16.32 27.19 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.391 1.476 . . . . 0.0 113.606 -179.773 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 91.6 m -68.9 152.95 44.63 Favored 'General case' 0 CA--C 1.542 0.639 0 O-C-N 121.637 -0.664 . . . . 0.0 112.058 179.263 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 37.7 mm-40 -78.08 52.51 1.09 Allowed 'General case' 0 CA--C 1.548 0.876 0 C-N-CA 124.762 1.225 . . . . 0.0 112.43 177.614 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.2 t -70.88 131.2 34.68 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.727 0 C-N-CA 125.21 1.404 . . . . 0.0 110.71 -179.781 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -153.87 135.88 14.68 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 124.832 1.253 . . . . 0.0 110.873 178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER 45.07 38.24 3.01 Favored 'General case' 0 CA--C 1.558 1.282 0 C-N-CA 126.113 1.765 . . . . 0.0 114.466 179.015 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.18 12.5 84.29 Favored Glycine 0 CA--C 1.537 1.437 0 O-C-N 120.989 -1.07 . . . . 0.0 115.296 -179.502 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 26.0 mmt85 -126.22 162.18 26.01 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 127.029 2.132 . . . . 0.0 111.073 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.59 139.88 31.49 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.875 0 N-CA-C 108.096 -1.076 . . . . 0.0 108.096 174.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 75.0 mt -74.39 130.03 36.24 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.649 0 N-CA-C 107.312 -1.366 . . . . 0.0 107.312 173.015 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -91.58 149.1 21.82 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.002 0.921 . . . . 0.0 111.677 179.191 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.0 t -67.36 108.95 2.96 Favored 'General case' 0 CA--C 1.549 0.919 0 C-N-CA 124.67 1.188 . . . . 0.0 112.268 -178.548 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.457 ' HB3' ' C2 ' ' B' ' 101' ' ' ' C' . 25.9 t80 -57.7 -42.64 84.13 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.95 1.3 . . . . 0.0 111.211 178.633 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.7 m-20 -62.14 -45.45 93.38 Favored 'General case' 0 CA--C 1.548 0.879 0 C-N-CA 122.686 0.394 . . . . 0.0 111.301 178.34 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.8 t -66.2 -39.88 89.98 Favored 'General case' 0 N--CA 1.473 0.682 0 O-C-N 121.096 -1.003 . . . . 0.0 112.312 175.508 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 21.0 mt -58.25 -31.17 67.16 Favored 'General case' 0 N--CA 1.472 0.633 0 C-N-CA 124.821 1.249 . . . . 0.0 112.482 177.2 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 82.1 mttt -92.14 9.24 34.37 Favored 'General case' 0 N--CA 1.475 0.781 0 C-N-CA 125.07 1.348 . . . . 0.0 113.265 176.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.98 4.33 72.23 Favored Glycine 0 CA--C 1.53 0.983 0 N-CA-C 117.811 1.885 . . . . 0.0 117.811 173.325 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 8.5 tpm_? -152.02 93.03 1.78 Allowed 'General case' 0 N--CA 1.473 0.677 0 CA-C-N 119.535 1.667 . . . . 0.0 111.608 177.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 49.8 t -60.44 129.19 40.4 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 124.725 1.21 . . . . 0.0 109.87 176.738 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 87.9 p -154.29 19.74 0.49 Allowed 'General case' 0 N--CA 1.472 0.664 0 N-CA-C 114.313 1.227 . . . . 0.0 114.313 -177.28 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -67.05 128.68 37.26 Favored 'General case' 0 N--CA 1.472 0.672 0 C-N-CA 124.024 0.93 . . . . 0.0 110.215 178.112 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -60.72 -23.56 65.0 Favored 'General case' 0 CA--C 1.551 1.006 0 N-CA-C 113.672 0.989 . . . . 0.0 113.672 -178.593 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -144.89 82.39 1.67 Allowed 'General case' 0 CA--C 1.544 0.731 0 C-N-CA 126.605 1.962 . . . . 0.0 107.783 175.181 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 7.5 t -79.76 112.57 17.17 Favored 'General case' 0 CA--C 1.546 0.796 0 CA-C-O 122.136 0.97 . . . . 0.0 110.66 -175.343 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.3 pttt -134.03 14.52 3.91 Favored 'General case' 0 N--CA 1.48 1.066 0 C-N-CA 127.749 2.42 . . . . 0.0 113.066 -176.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 28.0 m-85 -100.88 170.24 8.44 Favored 'General case' 0 CA--C 1.54 0.584 0 C-N-CA 127.058 2.143 . . . . 0.0 111.937 -178.242 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 22.3 tp -84.6 135.11 34.33 Favored 'General case' 0 CA--C 1.539 0.542 0 C-N-CA 123.795 0.838 . . . . 0.0 110.79 -178.373 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 14.5 m170 -104.57 104.65 46.45 Favored Pre-proline 0 CA--C 1.546 0.815 0 N-CA-C 107.34 -1.355 . . . . 0.0 107.34 173.03 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 43.1 Cg_endo -89.48 161.22 5.44 Favored 'Trans proline' 0 CA--C 1.548 1.217 0 C-N-CA 123.174 2.583 . . . . 0.0 112.879 -178.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 83.5 Cg_endo -72.47 162.2 42.11 Favored 'Trans proline' 0 CA--C 1.546 1.12 0 C-N-CA 123.732 2.954 . . . . 0.0 112.024 176.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 97.2 Cg_exo -44.2 -41.92 13.12 Favored 'Trans proline' 0 CA--C 1.539 0.743 0 C-N-CA 124.8 3.666 . . . . 0.0 116.837 -179.103 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 37.4 p-80 -64.36 -39.42 93.84 Favored 'General case' 0 N--CA 1.475 0.81 0 O-C-N 121.184 -0.947 . . . . 0.0 112.548 178.389 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 19.5 mt -77.3 -32.31 55.29 Favored 'General case' 0 CA--C 1.54 0.568 0 CA-C-O 118.542 -0.742 . . . . 0.0 111.257 175.048 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 90.4 mttt -59.59 -43.18 93.78 Favored 'General case' 0 N--CA 1.483 1.187 0 CA-C-N 119.902 1.228 . . . . 0.0 109.692 172.089 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 73.4 m -62.17 -44.5 96.46 Favored 'General case' 0 N--CA 1.472 0.647 0 C-N-CA 123.494 0.718 . . . . 0.0 110.899 176.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 22.9 tp60 -61.29 -37.82 84.55 Favored 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.928 0.785 . . . . 0.0 111.505 176.887 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -66.52 -45.42 79.58 Favored 'General case' 0 CA--C 1.54 0.576 0 C-N-CA 124.273 1.029 . . . . 0.0 110.337 176.646 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 40.7 mt-10 -61.69 -35.68 78.7 Favored 'General case' 0 N--CA 1.472 0.628 0 O-C-N 121.126 -0.984 . . . . 0.0 111.675 175.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 79.8 mt -65.33 -47.06 88.53 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.814 0 O-C-N 121.364 -0.835 . . . . 0.0 109.408 174.774 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 43.5 t-20 -56.91 -47.76 79.81 Favored 'General case' 0 CA--C 1.543 0.697 0 C-N-CA 124.345 1.058 . . . . 0.0 110.706 176.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -63.06 -51.34 56.0 Favored Glycine 0 CA--C 1.529 0.941 0 C-N-CA 124.177 0.894 . . . . 0.0 113.917 178.05 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 88.3 mtm180 -59.33 -40.65 87.01 Favored 'General case' 0 N--CA 1.477 0.905 0 CA-C-N 119.087 1.444 . . . . 0.0 111.647 177.205 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 17.2 t-20 -63.37 -35.65 81.11 Favored 'General case' 0 CA--C 1.546 0.801 0 O-C-N 121.952 -0.468 . . . . 0.0 111.556 175.062 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 18.9 t30 -71.49 -33.16 69.02 Favored 'General case' 0 CA--C 1.544 0.738 0 C-N-CA 123.352 0.661 . . . . 0.0 112.247 176.58 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 49.7 mt -64.3 -40.62 96.31 Favored 'General case' 0 N--CA 1.477 0.901 0 CA-C-N 119.308 0.958 . . . . 0.0 109.874 172.689 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 92.8 mt -68.32 -24.46 29.73 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.968 0 C-N-CA 125.316 1.446 . . . . 0.0 110.81 174.763 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 12.4 tt0 56.39 36.83 28.16 Favored 'General case' 0 CA--C 1.544 0.723 0 C-N-CA 127.634 2.374 . . . . 0.0 113.523 179.279 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 52.5 tt0 -53.34 -28.95 31.4 Favored 'General case' 0 CA--C 1.547 0.858 0 C-N-CA 125.098 1.359 . . . . 0.0 114.076 -179.034 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 61.9 tttp -61.81 -27.95 69.12 Favored 'General case' 0 N--CA 1.476 0.859 0 C-N-CA 125.465 1.506 . . . . 0.0 113.698 178.063 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 60.8 t-20 . . . . . 0 CA--C 1.544 0.722 0 C-N-CA 124.545 1.138 . . . . 0.0 111.89 179.32 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.624 3.112 0 O4'-C4'-C3' 108.56 2.186 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.769 1 O4'-C1'-N19 113.148 4.948 . 0.093 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.282 1 O4'-C1'-N19 112.857 4.657 . 0.01 0b . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 2.973 0 O4'-C1'-N19 111.881 3.681 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.541 2.395 1 O4'-C1'-N19 114.735 6.535 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.501 0 C3'-C2'-C1' 104.489 3.321 OUTLIER-EPSILON 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . 0.457 ' C2 ' ' HB3' ' A' ' 54' ' ' PHE . . . . . . . . 0 P--O5' 1.624 3.147 1 P-O3'-C3' 128.995 7.746 . 0.0 OUTLIER epsilon-1 0.0 . . . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.548 2 O4'-C1'-N19 113.165 4.965 . 0.013 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.724 3 O4'-C1'-N19 115.181 6.981 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.765 0 C4'-C3'-C2' 100.579 -2.121 . 0.442 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.847 0 O4'-C4'-C3' 109.648 2.963 . 0.185 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.968 0 C3'-C2'-C1' 104.181 2.979 . 0.052 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.306 0 O4'-C1'-N19 111.647 3.447 . 0.01 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.493 0 O4'-C1'-N19 110.642 2.442 . 0.414 9a . 0.0 . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.777 1 O4'-C1'-N19 112.488 4.288 . 0.05 9a . 0.0 . . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 1.8 pmm? . . . . . 0 CA--C 1.543 0.704 0 N-CA-C 114.118 1.155 . . . . 0.0 114.118 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -66.57 -18.43 65.36 Favored 'General case' 0 CA--C 1.548 0.895 0 C-N-CA 124.91 1.284 . . . . 0.0 114.339 179.963 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 25.5 m -141.31 163.06 21.2 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.936 0 C-N-CA 126.511 1.924 . . . . 0.0 111.166 179.641 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 83.8 p -152.02 168.4 25.36 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 125.278 1.431 . . . . 0.0 112.151 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 29.7 m -141.16 162.57 21.85 Favored 'Isoleucine or valine' 0 N--CA 1.48 1.029 0 C-N-CA 125.878 1.671 . . . . 0.0 111.494 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.8 m -62.47 135.49 95.44 Favored Pre-proline 0 N--CA 1.477 0.902 0 C-N-CA 124.523 1.129 . . . . 0.0 111.385 179.453 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 35.5 Cg_exo -55.79 165.43 3.66 Favored 'Trans proline' 0 CA--C 1.542 0.908 0 C-N-CA 123.708 2.938 . . . . 0.0 114.163 177.317 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.4 tt -79.87 158.08 4.51 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 CA-C-O 122.695 1.236 . . . . 0.0 111.629 178.43 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 59.9 mtt85 -113.46 135.95 53.32 Favored 'General case' 0 N--CA 1.473 0.69 0 C-N-CA 125.946 1.698 . . . . 0.0 111.459 -178.873 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 65.5 t0 -153.43 125.2 7.76 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.259 1.423 . . . . 0.0 111.234 -176.526 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 24.6 p -68.38 -21.84 64.68 Favored 'General case' 0 N--CA 1.476 0.871 0 O-C-N 120.111 -1.618 . . . . 0.0 113.352 177.543 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 14.9 tppt? -57.4 -32.78 67.17 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 124.877 1.271 . . . . 0.0 114.285 -177.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 6.4 p-90 -82.39 -21.48 35.82 Favored 'General case' 0 CA--C 1.539 0.539 0 N-CA-C 112.735 0.643 . . . . 0.0 112.735 177.788 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 17.7 mt -93.87 -14.33 26.2 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.774 1.629 . . . . 0.0 112.644 177.901 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.0 p -79.81 147.8 31.66 Favored 'General case' 0 N--CA 1.477 0.922 0 CA-C-N 120.864 1.666 . . . . 0.0 114.722 -178.024 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 86.6 mt -136.25 140.28 43.34 Favored 'General case' 0 N--CA 1.471 0.588 0 C-N-CA 127.184 2.194 . . . . 0.0 109.035 175.473 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 47.0 mt-10 -71.91 146.54 47.78 Favored 'General case' 0 N--CA 1.474 0.728 0 N-CA-C 114.028 1.121 . . . . 0.0 114.028 -177.77 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 90.2 t -86.6 140.01 16.48 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.688 0 C-N-CA 126.031 1.732 . . . . 0.0 110.23 177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 31.8 t -62.19 126.58 27.82 Favored 'General case' 0 CA--C 1.546 0.81 0 C-N-CA 124.423 1.089 . . . . 0.0 111.865 179.766 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 84.4 mtp180 -61.87 -39.89 93.48 Favored 'General case' 0 N--CA 1.476 0.867 0 O-C-N 121.473 -0.767 . . . . 0.0 111.844 179.642 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.4 mm-40 -70.39 -26.57 63.77 Favored 'General case' 0 CA--C 1.543 0.711 0 C-N-CA 123.42 0.688 . . . . 0.0 111.788 177.332 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 87.7 t80 -70.68 -42.71 70.35 Favored 'General case' 0 N--CA 1.47 0.531 0 O-C-N 120.859 -1.151 . . . . 0.0 110.159 174.723 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 94.7 mt-30 -63.68 -38.32 90.66 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 123.753 0.821 . . . . 0.0 111.068 174.826 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 75.3 ttt180 -70.02 -20.46 63.26 Favored 'General case' 0 N--CA 1.477 0.914 0 C-N-CA 126.086 1.754 . . . . 0.0 112.92 176.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 80.0 31.58 38.75 Favored Glycine 0 CA--C 1.537 1.423 0 C-N-CA 125.111 1.339 . . . . 0.0 113.571 -178.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 50.5 p -124.26 -18.24 5.89 Favored 'General case' 0 N--CA 1.478 0.95 0 N-CA-C 115.026 1.491 . . . . 0.0 115.026 -177.07 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.1 t -61.96 140.51 58.32 Favored 'General case' 0 CA--C 1.548 0.896 0 CA-C-N 119.861 1.21 . . . . 0.0 111.218 177.988 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 63.3 m -137.55 59.75 1.66 Allowed 'General case' 0 N--CA 1.474 0.747 0 C-N-CA 124.772 1.229 . . . . 0.0 111.989 -178.397 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 87.1 mmt-85 -149.85 150.36 30.12 Favored Pre-proline 0 N--CA 1.477 0.89 0 C-N-CA 126.873 2.069 . . . . 0.0 110.226 177.829 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 96.3 Cg_endo -73.31 155.9 50.99 Favored 'Trans proline' 0 CA--C 1.536 0.611 0 C-N-CA 122.133 1.889 . . . . 0.0 110.552 177.141 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -52.67 -32.92 44.85 Favored 'General case' 0 N--CA 1.477 0.889 0 C-N-CA 123.987 0.915 . . . . 0.0 111.91 176.637 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.7 m -61.76 -25.38 67.43 Favored 'General case' 0 N--CA 1.468 0.436 0 C-N-CA 127.339 2.256 . . . . 0.0 114.811 178.665 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 48.1 mt-10 -120.04 -20.23 7.53 Favored 'General case' 0 N--CA 1.475 0.776 0 N-CA-C 114.298 1.221 . . . . 0.0 114.298 -176.787 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 4.7 t -71.87 153.2 42.04 Favored 'General case' 0 CA--C 1.549 0.938 0 CA-C-N 118.856 0.753 . . . . 0.0 111.627 178.666 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 63.5 pttt -72.2 -10.44 59.79 Favored 'General case' 0 N--CA 1.479 0.997 0 C-N-CA 125.235 1.414 . . . . 0.0 114.763 -179.322 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -138.45 -179.88 6.06 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 126.489 1.916 . . . . 0.0 111.412 -179.341 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.9 24.09 Favored 'General case' 0 CA--C 1.544 0.716 0 N-CA-C 113.857 1.058 . . . . 0.0 113.857 -175.703 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 55.4 m170 -120.07 78.29 24.82 Favored Pre-proline 0 CA--C 1.551 1.015 0 C-N-CA 127.124 2.17 . . . . 0.0 109.853 178.223 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_endo -65.7 165.12 24.2 Favored 'Trans proline' 0 C--N 1.35 0.624 0 C-N-CA 123.992 3.128 . . . . 0.0 115.095 -177.214 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 60.5 p -105.43 175.65 5.42 Favored 'General case' 0 CA--C 1.535 0.403 0 C-N-CA 126.358 1.863 . . . . 0.0 111.349 177.415 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.4 mmtt -63.84 -20.52 65.87 Favored 'General case' 0 N--CA 1.477 0.915 0 N-CA-C 113.197 0.814 . . . . 0.0 113.197 175.803 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 48.0 m -91.56 -17.99 24.77 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 125.215 1.406 . . . . 0.0 113.252 178.593 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 68.7 m -65.8 137.77 57.46 Favored 'General case' 0 CA--C 1.538 0.516 0 CA-C-N 119.017 0.826 . . . . 0.0 111.399 179.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 81.7 mm-40 -81.48 55.57 2.67 Favored 'General case' 0 CA--C 1.547 0.83 0 C-N-CA 124.147 0.979 . . . . 0.0 111.573 178.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 9.4 t -63.22 134.06 28.61 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 126.085 1.754 . . . . 0.0 111.372 -179.09 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.0 pt-20 -154.99 146.32 22.96 Favored 'General case' 0 N--CA 1.473 0.707 0 C-N-CA 124.609 1.164 . . . . 0.0 111.993 177.563 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER 46.88 32.35 1.79 Allowed 'General case' 0 CA--C 1.557 1.238 0 C-N-CA 125.912 1.685 . . . . 0.0 114.619 179.704 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 78.49 14.53 82.05 Favored Glycine 0 CA--C 1.537 1.455 0 O-C-N 120.76 -1.213 . . . . 0.0 114.988 -178.595 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 11.4 mpt_? -129.84 164.51 23.96 Favored 'General case' 0 N--CA 1.474 0.76 0 C-N-CA 126.692 1.997 . . . . 0.0 111.291 -179.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -131.26 139.18 51.53 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 N-CA-C 106.868 -1.53 . . . . 0.0 106.868 173.329 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.4 mp -78.64 126.23 38.57 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.657 0 N-CA-C 106.799 -1.556 . . . . 0.0 106.799 175.548 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -78.59 149.06 33.06 Favored 'General case' 0 CA--C 1.541 0.608 0 C-N-CA 124.103 0.961 . . . . 0.0 112.301 179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 49.9 t -70.37 111.98 6.34 Favored 'General case' 0 CA--C 1.547 0.85 0 C-N-CA 125.631 1.572 . . . . 0.0 111.176 179.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 87.1 t80 -58.59 -39.52 80.59 Favored 'General case' 0 CA--C 1.538 0.492 0 C-N-CA 124.948 1.299 . . . . 0.0 111.314 178.683 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 59.7 m-20 -71.57 -29.91 65.26 Favored 'General case' 0 CA--C 1.545 0.752 0 O-C-N 121.305 -0.872 . . . . 0.0 112.249 177.598 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 46.8 t -68.6 -41.84 79.03 Favored 'General case' 0 N--CA 1.474 0.756 0 O-C-N 121.299 -0.876 . . . . 0.0 109.78 172.638 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 24.5 mt -62.46 -33.04 74.04 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 124.457 1.103 . . . . 0.0 111.339 175.089 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 23.0 ttmm -74.72 -10.04 59.14 Favored 'General case' 0 N--CA 1.478 0.959 0 C-N-CA 125.297 1.439 . . . . 0.0 112.133 173.734 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.75 6.57 69.86 Favored Glycine 0 CA--C 1.531 1.045 0 C-N-CA 126.636 2.065 . . . . 0.0 116.347 176.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.4 tmm_? -154.88 92.14 1.43 Allowed 'General case' 0 N--CA 1.473 0.717 0 CA-C-N 119.176 1.488 . . . . 0.0 111.456 178.614 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 18.0 t -54.31 133.2 44.99 Favored 'General case' 0 CA--C 1.55 0.959 0 C-N-CA 124.672 1.189 . . . . 0.0 110.873 177.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 79.8 p -135.94 28.51 3.19 Favored 'General case' 0 N--CA 1.477 0.913 0 N-CA-C 114.787 1.402 . . . . 0.0 114.787 -173.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 40.3 mmt-85 -118.21 113.62 21.79 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 125.699 1.6 . . . . 0.0 109.834 179.032 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 2.8 pm0 -63.53 -18.42 63.81 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.24 1.571 . . . . 0.0 115.24 -177.583 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 52.8 t30 -134.11 67.92 1.5 Allowed 'General case' 0 CA--C 1.542 0.671 0 C-N-CA 127.322 2.249 . . . . 0.0 108.213 178.452 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 17.7 t -79.67 129.25 34.31 Favored 'General case' 0 CA--C 1.544 0.749 0 CA-C-O 122.362 1.077 . . . . 0.0 109.877 -173.975 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 55.0 pttt -132.13 19.57 4.48 Favored 'General case' 0 N--CA 1.477 0.922 0 C-N-CA 127.809 2.444 . . . . 0.0 113.614 -172.019 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 42.0 m-85 -114.6 168.17 10.11 Favored 'General case' 0 CA--C 1.544 0.749 0 C-N-CA 126.694 1.997 . . . . 0.0 110.858 -179.823 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 32.1 tp -84.72 135.14 34.26 Favored 'General case' 0 CA--C 1.539 0.54 0 O-C-N 121.054 -1.029 . . . . 0.0 111.135 -179.711 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 23.5 m170 -96.83 104.72 19.48 Favored Pre-proline 0 CA--C 1.547 0.844 0 N-CA-C 107.52 -1.289 . . . . 0.0 107.52 172.725 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 86.4 Cg_endo -81.42 143.24 13.64 Favored 'Trans proline' 0 CA--C 1.544 0.989 0 C-N-CA 122.495 2.13 . . . . 0.0 113.235 -177.485 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.3 Cg_endo -73.38 161.96 41.38 Favored 'Trans proline' 0 CA--C 1.543 0.931 0 C-N-CA 123.478 2.785 . . . . 0.0 110.762 174.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 95.9 Cg_exo -43.41 -43.28 10.72 Favored 'Trans proline' 0 CA--C 1.539 0.747 0 C-N-CA 124.425 3.416 . . . . 0.0 116.388 -179.122 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 31.0 p-80 -64.05 -32.62 74.24 Favored 'General case' 0 N--CA 1.475 0.824 0 CA-C-N 119.225 0.921 . . . . 0.0 113.446 178.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 34.2 mt -84.67 -27.56 27.0 Favored 'General case' 0 N--CA 1.47 0.561 0 CA-C-O 118.483 -0.77 . . . . 0.0 111.473 174.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 66.6 mttm -57.65 -39.56 77.29 Favored 'General case' 0 N--CA 1.48 1.044 0 CA-C-N 119.922 1.237 . . . . 0.0 110.516 173.547 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 90.2 m -60.55 -44.72 95.81 Favored 'General case' 0 N--CA 1.476 0.832 0 C-N-CA 123.041 0.536 . . . . 0.0 111.39 174.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 18.1 mm100 -63.9 -37.33 86.99 Favored 'General case' 0 N--CA 1.471 0.608 0 O-C-N 121.583 -0.698 . . . . 0.0 111.085 177.043 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -63.9 -44.35 93.24 Favored 'General case' 0 CA--C 1.539 0.536 0 C-N-CA 124.618 1.167 . . . . 0.0 110.685 176.298 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.3 mt-10 -62.67 -41.27 98.98 Favored 'General case' 0 N--CA 1.473 0.715 0 O-C-N 121.05 -1.031 . . . . 0.0 111.669 176.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 84.7 mt -63.39 -47.35 92.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 C-N-CA 123.957 0.903 . . . . 0.0 109.792 176.142 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.2 t30 -59.55 -41.15 89.45 Favored 'General case' 0 CA--C 1.542 0.648 0 C-N-CA 123.717 0.807 . . . . 0.0 110.452 175.623 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -52.72 -60.13 8.33 Favored Glycine 0 C--N 1.337 0.59 0 C-N-CA 125.729 1.633 . . . . 0.0 112.239 176.086 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 23.8 mmt180 -65.34 -38.84 91.35 Favored 'General case' 0 N--CA 1.472 0.636 0 CA-C-N 118.074 0.937 . . . . 0.0 112.519 178.363 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -61.0 -42.55 98.65 Favored 'General case' 0 CA--C 1.546 0.816 0 CA-C-N 120.116 1.326 . . . . 0.0 112.561 177.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 6.7 t30 -69.58 -36.68 76.49 Favored 'General case' 0 CA--C 1.54 0.595 0 C-N-CA 123.533 0.733 . . . . 0.0 111.423 177.073 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 34.8 tp -64.78 -39.83 94.26 Favored 'General case' 0 CA--C 1.544 0.725 0 C-N-CA 126.049 1.74 . . . . 0.0 111.313 176.01 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 84.1 mt -67.2 -20.12 26.37 Favored 'Isoleucine or valine' 0 N--CA 1.479 1.022 0 C-N-CA 126.256 1.822 . . . . 0.0 110.482 172.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 18.0 mt-30 64.83 30.45 12.17 Favored 'General case' 0 N--CA 1.473 0.68 0 C-N-CA 127.382 2.273 . . . . 0.0 112.723 -179.375 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 1.2 tm0? -58.77 -30.04 67.24 Favored 'General case' 0 N--CA 1.472 0.67 0 C-N-CA 125.196 1.398 . . . . 0.0 113.305 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 59.5 mttp -65.49 -20.14 66.23 Favored 'General case' 0 N--CA 1.478 0.951 0 C-N-CA 125.328 1.451 . . . . 0.0 114.203 179.652 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.545 0.763 0 C-N-CA 125.117 1.367 . . . . 0.0 112.596 179.942 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.157 0 C2'-C3'-O3' 115.874 1.741 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.321 0 O4'-C1'-N19 111.332 3.132 . 0.0 OUTLIER '7D dist 5z' 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.515 0 C4'-C3'-O3' 117.063 2.486 . 0.115 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 0 O4'-C1'-N19 111.416 3.216 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.538 2.169 1 O4'-C1'-N19 112.216 4.016 . 0.01 4p . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.427 -2.168 0 C4'-C3'-C2' 99.861 -2.839 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.408 0 O4'-C1'-N19 111.486 3.286 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.84 0 O4'-C1'-N19 111.225 3.025 . 0.263 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.529 1 O4'-C1'-N19 113.236 5.036 . 0.425 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.931 0 O4'-C1'-N19 112.179 3.979 . 0.327 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.407 0 C4'-C3'-C2' 100.62 -2.08 . 0.318 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.259 1 O4'-C1'-N19 113.091 4.891 . 0.241 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.675 2 O4'-C1'-N19 113.18 4.98 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.619 2.564 1 O4'-C1'-N19 112.576 4.376 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.539 2.227 0 P-O3'-C3' 123.066 2.805 . 0.01 3b . 0.0 . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.1 ptp . . . . . 0 CA--C 1.543 0.707 0 N-CA-C 113.885 1.069 . . . . 0.0 113.885 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -67.18 -17.04 64.66 Favored 'General case' 0 CA--C 1.549 0.92 0 N-CA-C 114.681 1.363 . . . . 0.0 114.681 -179.278 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 10.8 p -151.54 154.22 8.61 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.88 0 C-N-CA 125.561 1.544 . . . . 0.0 111.205 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 8.1 t -159.96 179.43 8.77 Favored 'General case' 0 N--CA 1.474 0.75 0 C-N-CA 126.312 1.845 . . . . 0.0 110.993 179.627 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.3 p -146.94 149.36 15.81 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.887 0 C-N-CA 125.251 1.42 . . . . 0.0 111.975 178.208 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 18.8 m -63.52 134.49 95.88 Favored Pre-proline 0 N--CA 1.474 0.758 0 C-N-CA 125.613 1.565 . . . . 0.0 110.863 178.591 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 69.8 Cg_endo -68.4 161.22 45.77 Favored 'Trans proline' 0 CA--C 1.54 0.794 0 C-N-CA 122.776 2.317 . . . . 0.0 112.865 179.408 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -119.97 160.03 20.67 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.75 0 C-N-CA 126.117 1.767 . . . . 0.0 111.286 178.47 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 77.7 mtt85 -125.73 152.12 45.74 Favored 'General case' 0 N--CA 1.478 0.965 0 C-N-CA 125.684 1.594 . . . . 0.0 111.894 -176.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 53.7 t0 -154.25 106.77 2.81 Favored 'General case' 0 CA--C 1.544 0.743 0 N-CA-C 113.719 1.007 . . . . 0.0 113.719 -174.846 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 39.5 p -56.87 -21.14 27.11 Favored 'General case' 0 N--CA 1.484 1.258 0 O-C-N 119.836 -1.79 . . . . 0.0 114.81 178.18 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 62.3 tttm -59.03 -29.13 67.05 Favored 'General case' 0 N--CA 1.476 0.862 0 C-N-CA 125.447 1.499 . . . . 0.0 113.464 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 5.6 p-90 -87.21 -28.75 22.19 Favored 'General case' 0 CA--C 1.535 0.392 0 CA-C-N 118.192 0.451 . . . . 0.0 111.922 176.718 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 77.5 mt -77.38 -18.14 57.58 Favored 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 124.611 1.164 . . . . 0.0 112.698 176.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.72 150.32 30.9 Favored 'General case' 0 N--CA 1.478 0.962 0 N-CA-C 115.276 1.584 . . . . 0.0 115.276 -176.49 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 72.7 mt -131.76 136.16 47.36 Favored 'General case' 0 N--CA 1.469 0.481 0 C-N-CA 127.108 2.163 . . . . 0.0 108.814 175.306 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 43.7 mt-10 -74.53 149.5 40.19 Favored 'General case' 0 N--CA 1.469 0.508 0 N-CA-C 113.299 0.851 . . . . 0.0 113.299 -178.36 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 93.1 t -92.52 138.23 20.47 Favored 'Isoleucine or valine' 0 N--CA 1.468 0.458 0 C-N-CA 126.071 1.748 . . . . 0.0 109.98 178.285 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 32.4 t -59.76 123.58 17.43 Favored 'General case' 0 CA--C 1.544 0.746 0 C-N-CA 124.066 0.946 . . . . 0.0 111.003 179.281 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.9 mmt-85 -64.31 -38.81 92.37 Favored 'General case' 0 N--CA 1.475 0.783 0 O-C-N 121.427 -0.796 . . . . 0.0 111.995 -178.703 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 16.1 mm-40 -69.79 -27.23 64.72 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.399 0.679 . . . . 0.0 112.242 177.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 44.5 t80 -68.82 -44.9 72.52 Favored 'General case' 0 N--CA 1.468 0.461 0 CA-C-N 119.394 0.997 . . . . 0.0 109.986 174.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 49.8 mm-40 -64.75 -34.87 79.35 Favored 'General case' 0 CA--C 1.543 0.691 0 C-N-CA 123.565 0.746 . . . . 0.0 111.706 175.558 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 46.8 ttp85 -75.07 -14.13 60.56 Favored 'General case' 0 N--CA 1.478 0.949 0 C-N-CA 124.731 1.212 . . . . 0.0 113.268 176.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 35.22 28.19 Favored Glycine 0 CA--C 1.536 1.357 0 C-N-CA 124.869 1.224 . . . . 0.0 113.583 -179.899 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 12.0 m -124.56 -29.39 3.47 Favored 'General case' 0 N--CA 1.478 0.958 0 C-N-CA 125.452 1.501 . . . . 0.0 113.964 -176.002 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 8.7 t -61.23 139.75 58.08 Favored 'General case' 0 CA--C 1.548 0.88 0 CA-C-N 119.474 1.034 . . . . 0.0 111.684 179.236 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 65.7 m -138.21 59.85 1.63 Allowed 'General case' 0 N--CA 1.473 0.693 0 C-N-CA 125.305 1.442 . . . . 0.0 111.566 -178.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 77.8 mtp85 -145.88 147.65 33.13 Favored Pre-proline 0 N--CA 1.478 0.942 0 C-N-CA 126.821 2.048 . . . . 0.0 110.088 178.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -73.0 154.63 52.9 Favored 'Trans proline' 0 CA--C 1.538 0.689 0 C-N-CA 121.921 1.747 . . . . 0.0 109.993 176.008 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 18.4 t70 -52.09 -34.85 45.75 Favored 'General case' 0 CA--C 1.546 0.825 0 C-N-CA 123.921 0.888 . . . . 0.0 111.997 177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 2.9 m -60.25 -24.98 65.32 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.666 2.387 . . . . 0.0 114.598 177.276 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -120.11 -18.54 8.06 Favored 'General case' 0 N--CA 1.474 0.738 0 N-CA-C 114.841 1.423 . . . . 0.0 114.841 -177.801 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 7.2 t -78.15 145.46 35.65 Favored 'General case' 0 CA--C 1.547 0.841 0 CA-C-N 119.244 0.929 . . . . 0.0 111.144 178.491 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -63.01 -14.57 49.57 Favored 'General case' 0 N--CA 1.481 1.097 0 N-CA-C 115.314 1.598 . . . . 0.0 115.314 -177.853 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 77.1 m-85 -134.5 -179.96 5.91 Favored 'General case' 0 CA--C 1.544 0.716 0 C-N-CA 126.26 1.824 . . . . 0.0 111.894 -178.219 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 146.36 24.48 Favored 'General case' 0 CA--C 1.546 0.797 0 N-CA-C 113.818 1.044 . . . . 0.0 113.818 -174.519 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 46.9 m170 -120.14 66.41 11.47 Favored Pre-proline 0 CA--C 1.554 1.125 0 C-N-CA 127.251 2.221 . . . . 0.0 110.752 177.263 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 97.5 Cg_endo -73.09 165.08 33.71 Favored 'Trans proline' 0 CA--C 1.538 0.694 0 C-N-CA 123.908 3.072 . . . . 0.0 114.041 -177.335 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 70.8 m -103.39 165.11 11.23 Favored 'General case' 0 N--CA 1.468 0.427 0 C-N-CA 125.659 1.584 . . . . 0.0 109.85 175.318 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.67 -24.21 32.7 Favored 'General case' 0 N--CA 1.482 1.13 0 N-CA-C 114.721 1.378 . . . . 0.0 114.721 -179.32 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 19.4 m -73.63 -20.07 60.69 Favored 'General case' 0 N--CA 1.472 0.638 0 C-N-CA 125.386 1.475 . . . . 0.0 113.955 178.223 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 78.3 m -80.77 161.97 24.29 Favored 'General case' 0 CA--C 1.544 0.725 0 CA-C-N 119.015 0.825 . . . . 0.0 112.597 -179.538 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 33.0 tp60 -73.42 46.52 0.2 Allowed 'General case' 0 CA--C 1.554 1.12 0 C-N-CA 126.377 1.871 . . . . 0.0 112.848 177.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 4.6 t -70.54 128.17 33.44 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.765 0 C-N-CA 124.909 1.283 . . . . 0.0 110.384 -179.628 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 39.0 tt0 -154.93 139.8 17.23 Favored 'General case' 0 CA--C 1.541 0.624 0 C-N-CA 124.823 1.249 . . . . 0.0 110.737 -179.259 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.1 t30 41.3 35.91 0.46 Allowed 'General case' 0 CA--C 1.558 1.264 0 N-CA-C 116.391 1.997 . . . . 0.0 116.391 178.134 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 84.46 14.17 71.63 Favored Glycine 0 CA--C 1.538 1.513 0 N-CA-C 116.084 1.193 . . . . 0.0 116.084 179.388 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 5.9 ppt_? -143.37 166.32 25.08 Favored 'General case' 0 N--CA 1.479 1.014 0 C-N-CA 125.796 1.638 . . . . 0.0 112.432 179.611 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -137.99 139.75 41.88 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.729 0 C-N-CA 124.733 1.213 . . . . 0.0 108.027 178.313 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 33.6 mt -75.67 126.74 36.75 Favored 'Isoleucine or valine' 0 CA--C 1.542 0.653 0 N-CA-C 106.81 -1.552 . . . . 0.0 106.81 174.508 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -81.82 148.81 28.65 Favored 'General case' 0 CA--C 1.543 0.688 0 C-N-CA 123.487 0.715 . . . . 0.0 111.641 179.475 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 42.6 t -69.39 112.98 6.3 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 124.708 1.203 . . . . 0.0 110.833 179.88 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 90.0 t80 -59.8 -39.96 86.75 Favored 'General case' 0 CA--C 1.54 0.565 0 C-N-CA 124.401 1.08 . . . . 0.0 111.461 179.573 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.1 m-20 -67.9 -35.91 79.3 Favored 'General case' 0 CA--C 1.547 0.851 0 O-C-N 121.584 -0.698 . . . . 0.0 111.552 176.865 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 32.7 t -67.91 -40.28 83.42 Favored 'General case' 0 N--CA 1.475 0.811 0 O-C-N 121.24 -0.912 . . . . 0.0 111.073 175.076 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 41.2 mt -60.37 -32.43 71.29 Favored 'General case' 0 CA--C 1.541 0.632 0 C-N-CA 124.225 1.01 . . . . 0.0 111.685 175.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 27.9 mtpp -80.65 -4.45 54.3 Favored 'General case' 0 N--CA 1.477 0.908 0 C-N-CA 125.3 1.44 . . . . 0.0 112.852 174.405 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.97 7.74 67.88 Favored Glycine 0 CA--C 1.531 1.041 0 C-N-CA 126.424 1.964 . . . . 0.0 116.695 176.367 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.3 tmt_? -153.23 91.91 1.56 Allowed 'General case' 0 N--CA 1.475 0.788 0 CA-C-N 119.3 1.55 . . . . 0.0 111.32 179.201 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 36.6 t -57.36 132.05 51.89 Favored 'General case' 0 CA--C 1.55 0.951 0 C-N-CA 124.263 1.025 . . . . 0.0 110.454 177.089 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 53.3 m -137.87 19.92 2.85 Favored 'General case' 0 N--CA 1.478 0.958 0 N-CA-C 114.432 1.271 . . . . 0.0 114.432 -175.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.0 tpp180 -87.1 133.44 33.61 Favored 'General case' 0 N--CA 1.475 0.789 0 O-C-N 120.978 -1.076 . . . . 0.0 111.528 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 17.5 mm-40 -62.76 -29.27 70.57 Favored 'General case' 0 N--CA 1.481 1.102 0 C-N-CA 124.083 0.953 . . . . 0.0 113.544 -178.495 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 44.9 t30 -147.27 85.96 1.61 Allowed 'General case' 0 CA--C 1.539 0.521 0 C-N-CA 126.388 1.875 . . . . 0.0 107.911 176.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 12.9 t -79.81 132.63 36.18 Favored 'General case' 0 CA--C 1.546 0.818 0 C-N-CA 123.737 0.815 . . . . 0.0 111.245 -174.637 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 22.9 pttp -133.98 5.13 3.58 Favored 'General case' 0 N--CA 1.482 1.171 0 C-N-CA 126.956 2.102 . . . . 0.0 114.11 -176.533 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 34.6 m-85 -96.38 169.64 9.78 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 125.808 1.643 . . . . 0.0 111.515 -178.822 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.71 135.04 34.31 Favored 'General case' 0 CA--C 1.54 0.566 0 O-C-N 120.96 -1.087 . . . . 0.0 111.509 -178.356 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 25.1 m170 -99.05 104.82 28.14 Favored Pre-proline 0 CA--C 1.547 0.829 0 N-CA-C 107.863 -1.162 . . . . 0.0 107.863 174.267 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.0 Cg_endo -83.48 142.22 10.39 Favored 'Trans proline' 0 CA--C 1.547 1.164 0 C-N-CA 122.544 2.163 . . . . 0.0 114.707 -176.426 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 98.4 Cg_endo -70.04 162.58 41.66 Favored 'Trans proline' 0 CA--C 1.549 1.252 0 C-N-CA 124.414 3.41 . . . . 0.0 110.61 173.66 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 83.0 Cg_exo -43.05 -45.43 9.34 Favored 'Trans proline' 0 CA--C 1.539 0.761 0 C-N-CA 124.6 3.533 . . . . 0.0 117.335 -177.23 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 26.7 p-80 -66.41 -38.46 87.51 Favored 'General case' 0 N--CA 1.477 0.896 0 CA-C-N 119.756 1.162 . . . . 0.0 112.565 178.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 11.6 mt -71.27 -27.98 63.82 Favored 'General case' 0 N--CA 1.469 0.52 0 O-C-N 121.558 -0.714 . . . . 0.0 111.313 175.114 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 56.8 mtpt -61.93 -39.4 91.93 Favored 'General case' 0 N--CA 1.479 1.024 0 CA-C-N 119.938 1.245 . . . . 0.0 110.176 172.342 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 63.2 m -64.91 -43.8 91.64 Favored 'General case' 0 N--CA 1.475 0.786 0 O-C-N 121.717 -0.615 . . . . 0.0 110.691 174.534 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -60.51 -39.37 87.53 Favored 'General case' 0 N--CA 1.474 0.731 0 O-C-N 121.608 -0.682 . . . . 0.0 110.898 175.885 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 3.1 tm? -63.59 -47.83 79.88 Favored 'General case' 0 CA--C 1.535 0.366 0 C-N-CA 124.428 1.091 . . . . 0.0 110.302 176.097 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -60.01 -39.72 86.78 Favored 'General case' 0 N--CA 1.473 0.698 0 CA-C-N 119.131 0.878 . . . . 0.0 112.926 177.708 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 78.2 mt -62.86 -46.44 96.33 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.811 0 C-N-CA 123.784 0.834 . . . . 0.0 109.667 176.444 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 19.8 m-80 -61.69 -42.31 98.76 Favored 'General case' 0 CA--C 1.538 0.491 0 C-N-CA 123.352 0.661 . . . . 0.0 110.846 174.856 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -58.02 -60.02 9.75 Favored Glycine 0 C--N 1.334 0.444 0 C-N-CA 125.9 1.714 . . . . 0.0 112.667 179.311 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.6 mtm-85 -61.6 -34.93 76.48 Favored 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 118.803 1.301 . . . . 0.0 113.603 -179.735 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.5 t-20 -70.1 -43.27 71.41 Favored 'General case' 0 CA--C 1.541 0.616 0 CA-C-N 118.801 0.728 . . . . 0.0 111.394 175.743 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 7.0 t30 -68.22 -34.06 75.55 Favored 'General case' 0 CA--C 1.538 0.5 0 CA-C-N 118.728 0.694 . . . . 0.0 111.425 176.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 43.3 tp -56.33 -32.16 64.41 Favored 'General case' 0 N--CA 1.47 0.543 0 C-N-CA 125.251 1.42 . . . . 0.0 113.679 -179.707 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 82.1 mt -64.13 -18.97 23.77 Favored 'Isoleucine or valine' 0 CA--C 1.552 1.027 0 C-N-CA 125.628 1.571 . . . . 0.0 111.629 176.307 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 46.9 tt0 -142.54 45.54 1.61 Allowed 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 127.684 2.394 . . . . 0.0 109.334 177.09 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -49.81 -22.41 1.44 Allowed 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 126.682 1.993 . . . . 0.0 116.295 -173.354 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 7.5 ptpp? -59.4 -30.0 68.13 Favored 'General case' 0 N--CA 1.474 0.762 0 C-N-CA 124.643 1.177 . . . . 0.0 112.754 173.645 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 43.0 t30 . . . . . 0 CA--C 1.545 0.781 0 C-N-CA 126.491 1.916 . . . . 0.0 110.549 177.856 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.246 1 O4'-C1'-N19 112.302 4.102 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.245 0 C3'-C2'-C1' 104.087 2.875 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.616 2.325 0 P-O3'-C3' 124.21 3.758 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.225 0 O4'-C1'-N19 111.803 3.603 . 0.473 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.644 1 O4'-C1'-N19 113.108 4.908 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6p' 0.0 . . . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.629 1 O4'-C1'-N19 114.544 6.344 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.56 0 P-O3'-C3' 123.491 3.159 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.797 0 O4'-C1'-N19 111.135 2.935 . 0.187 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.558 1 O4'-C1'-N19 115.804 7.604 . 0.226 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.9 1 O5'-C5'-C4' 116.542 4.53 . 0.241 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.281 0 O4'-C1'-N19 111.774 3.574 . 0.462 5p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.47 0 O4'-C1'-N19 110.55 2.35 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.056 0 O4'-C1'-N19 111.209 3.009 . 0.375 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.466 0 C4'-C3'-C2' 98.838 -3.862 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.228 0 O4'-C1'-N19 111.721 3.521 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.0 ptp . . . . . 0 CA--C 1.545 0.78 0 N-CA-C 114.083 1.142 . . . . 0.0 114.083 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -149.88 166.11 30.55 Favored 'General case' 0 CA--C 1.546 0.797 0 C-N-CA 125.766 1.626 . . . . 0.0 112.169 -179.886 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 14.9 p -151.47 158.03 4.94 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.919 0 C-N-CA 125.659 1.584 . . . . 0.0 110.995 179.226 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 80.5 p -151.34 161.13 43.25 Favored 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 125.586 1.554 . . . . 0.0 112.022 179.274 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 14.0 p -158.03 161.63 1.67 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.827 0 C-N-CA 125.785 1.634 . . . . 0.0 110.717 -179.297 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 14.7 t -62.44 143.18 96.12 Favored Pre-proline 0 CA--C 1.549 0.932 0 C-N-CA 124.095 0.958 . . . . 0.0 111.183 176.685 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 52.4 Cg_exo -54.16 161.44 5.16 Favored 'Trans proline' 0 CA--C 1.542 0.903 0 C-N-CA 123.884 3.056 . . . . 0.0 116.032 -179.103 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 8' ' ' ILE . 0.2 OUTLIER -79.85 160.11 4.28 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.71 0 C-N-CA 125.041 1.337 . . . . 0.0 111.29 176.444 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 3.6 ptp85 -140.11 177.26 8.11 Favored 'General case' 0 N--CA 1.48 1.034 0 N-CA-C 114.872 1.434 . . . . 0.0 114.872 -178.294 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 37.5 t0 -142.77 99.86 3.56 Favored 'General case' 0 CA--C 1.543 0.7 0 C-N-CA 124.799 1.239 . . . . 0.0 112.854 -174.218 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 32.3 p -59.57 -16.41 25.15 Favored 'General case' 0 N--CA 1.482 1.138 0 N-CA-C 115.214 1.561 . . . . 0.0 115.214 179.292 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 59.7 tttm -51.32 -32.02 23.72 Favored 'General case' 0 N--CA 1.477 0.921 0 C-N-CA 125.6 1.56 . . . . 0.0 113.537 178.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.5 p-90 -87.84 -26.18 22.94 Favored 'General case' 0 CA--C 1.539 0.521 0 N-CA-C 113.65 0.982 . . . . 0.0 113.65 178.573 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 27.5 mt -86.45 -13.96 44.64 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 124.605 1.162 . . . . 0.0 112.586 176.082 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 5.0 p -79.82 152.71 29.58 Favored 'General case' 0 N--CA 1.474 0.744 0 N-CA-C 114.573 1.323 . . . . 0.0 114.573 -176.377 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 83.7 mt -139.06 146.28 40.59 Favored 'General case' 0 N--CA 1.471 0.598 0 C-N-CA 128.181 2.592 . . . . 0.0 109.28 178.019 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 30.1 tt0 -82.62 140.76 33.0 Favored 'General case' 0 N--CA 1.472 0.644 0 N-CA-C 114.322 1.23 . . . . 0.0 114.322 -176.603 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 82.0 t -87.61 140.03 16.43 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.575 0 C-N-CA 126.205 1.802 . . . . 0.0 110.287 178.157 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 48.1 t -58.5 134.68 56.91 Favored 'General case' 0 CA--C 1.546 0.792 0 C-N-CA 124.069 0.948 . . . . 0.0 112.351 179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.2 ttp180 -64.8 -45.69 85.18 Favored 'General case' 0 N--CA 1.475 0.779 0 O-C-N 121.336 -0.852 . . . . 0.0 111.021 179.142 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 40.8 mm-40 -68.01 -26.08 65.71 Favored 'General case' 0 CA--C 1.537 0.463 0 C-N-CA 123.485 0.714 . . . . 0.0 112.202 178.805 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.3 t80 -69.92 -44.42 69.68 Favored 'General case' 0 N--CA 1.469 0.48 0 O-C-N 121.098 -1.001 . . . . 0.0 110.138 174.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -64.13 -34.98 79.29 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 124.169 0.988 . . . . 0.0 111.317 175.247 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 71.0 ttt-85 -69.51 -19.49 63.72 Favored 'General case' 0 N--CA 1.478 0.944 0 C-N-CA 125.832 1.653 . . . . 0.0 112.796 175.36 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 34.99 28.8 Favored Glycine 0 CA--C 1.536 1.382 0 C-N-CA 124.85 1.214 . . . . 0.0 112.359 -177.169 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 10.7 m -122.76 -34.96 3.13 Favored 'General case' 0 N--CA 1.476 0.84 0 C-N-CA 125.847 1.659 . . . . 0.0 113.642 -175.212 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 4.1 t -64.25 135.0 55.84 Favored 'General case' 0 CA--C 1.548 0.875 0 CA-C-N 119.217 0.917 . . . . 0.0 111.156 178.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 52.3 m -139.84 59.72 1.58 Allowed 'General case' 0 N--CA 1.476 0.836 0 C-N-CA 124.72 1.208 . . . . 0.0 112.251 -178.023 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.3 mtp180 -148.63 153.83 40.16 Favored Pre-proline 0 N--CA 1.48 1.038 0 C-N-CA 126.959 2.103 . . . . 0.0 110.036 178.217 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.4 Cg_endo -70.84 152.1 63.43 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 121.779 1.653 . . . . 0.0 110.43 176.697 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -55.53 -25.16 36.07 Favored 'General case' 0 N--CA 1.476 0.847 0 N-CA-C 113.623 0.971 . . . . 0.0 113.623 178.415 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 6.1 m -66.37 -30.08 70.39 Favored 'General case' 0 N--CA 1.473 0.713 0 C-N-CA 125.268 1.427 . . . . 0.0 112.246 176.669 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 53.2 mt-10 -99.29 -31.92 11.45 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 124.959 1.304 . . . . 0.0 112.703 179.79 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -72.27 170.04 14.94 Favored 'General case' 0 CA--C 1.55 0.961 0 C-N-CA 123.775 0.83 . . . . 0.0 111.58 177.404 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 99.5 mttt -86.61 -11.96 49.95 Favored 'General case' 0 N--CA 1.478 0.97 0 C-N-CA 125.259 1.424 . . . . 0.0 113.838 -179.598 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 76.3 m-85 -139.13 -179.81 6.07 Favored 'General case' 0 CA--C 1.543 0.689 0 C-N-CA 126.538 1.935 . . . . 0.0 112.344 -175.909 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.72 145.14 25.42 Favored 'General case' 0 CA--C 1.546 0.809 0 C-N-CA 123.639 0.776 . . . . 0.0 112.986 -174.812 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 51.7 m170 -120.13 74.07 20.65 Favored Pre-proline 0 CA--C 1.553 1.078 0 C-N-CA 126.706 2.002 . . . . 0.0 111.434 179.433 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 88.9 Cg_endo -72.44 165.09 33.7 Favored 'Trans proline' 0 CA--C 1.538 0.676 0 C-N-CA 124.13 3.22 . . . . 0.0 114.104 -178.258 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 69.8 m -94.48 160.53 14.61 Favored 'General case' 0 C--O 1.235 0.316 0 C-N-CA 124.996 1.318 . . . . 0.0 109.53 175.056 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 30.0 mtpp -57.69 -22.77 48.03 Favored 'General case' 0 N--CA 1.484 1.251 0 C-N-CA 124.379 1.071 . . . . 0.0 113.711 178.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 13.4 p -78.94 -23.84 44.38 Favored 'General case' 0 CA--C 1.538 0.486 0 C-N-CA 127.007 2.123 . . . . 0.0 114.376 177.499 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 86.2 m -70.03 160.21 32.39 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 123.965 0.906 . . . . 0.0 112.958 -179.1 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 20.9 mm100 -75.52 54.72 0.77 Allowed 'General case' 0 CA--C 1.548 0.883 0 C-N-CA 125.168 1.387 . . . . 0.0 112.59 176.531 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 8.6 t -75.26 130.79 35.9 Favored 'Isoleucine or valine' 0 N--CA 1.472 0.658 0 C-N-CA 124.92 1.288 . . . . 0.0 109.488 178.58 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.3 tp10 -150.05 134.75 17.58 Favored 'General case' 0 N--CA 1.47 0.557 0 C-N-CA 124.545 1.138 . . . . 0.0 110.767 179.843 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . 0.28 0.0 OUTLIER 40.78 32.01 0.14 Allowed 'General case' 0 CA--C 1.555 1.155 0 C-N-CA 128.023 2.529 . . . . 0.0 117.378 179.202 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 91.05 13.97 58.29 Favored Glycine 0 CA--C 1.536 1.395 0 C-N-CA 124.576 1.084 . . . . 0.0 114.529 -179.579 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 17.5 mmm180 -130.16 162.51 28.7 Favored 'General case' 0 N--CA 1.474 0.752 0 C-N-CA 126.918 2.087 . . . . 0.0 110.805 -179.24 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -139.72 138.82 38.75 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.969 0 C-N-CA 124.547 1.139 . . . . 0.0 108.083 174.055 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 3.6 mp -77.04 126.97 38.1 Favored 'Isoleucine or valine' 0 CA--C 1.544 0.748 0 N-CA-C 106.977 -1.49 . . . . 0.0 106.977 174.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.98 151.99 29.72 Favored 'General case' 0 CA--C 1.542 0.66 0 C-N-CA 123.783 0.833 . . . . 0.0 112.728 179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.2 t -72.8 106.05 4.6 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 125.617 1.567 . . . . 0.0 109.881 177.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 74.7 t80 -55.41 -37.23 67.35 Favored 'General case' 0 N--CA 1.472 0.651 0 C-N-CA 124.608 1.163 . . . . 0.0 111.538 179.379 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 75.6 m-20 -68.47 -31.15 70.24 Favored 'General case' 0 CA--C 1.548 0.899 0 O-C-N 121.575 -0.703 . . . . 0.0 111.984 175.597 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 29.7 t -69.36 -37.69 77.74 Favored 'General case' 0 N--CA 1.471 0.582 0 O-C-N 121.176 -0.952 . . . . 0.0 110.539 173.22 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -61.22 -33.08 72.91 Favored 'General case' 0 N--CA 1.474 0.772 0 O-C-N 121.285 -0.885 . . . . 0.0 111.112 173.862 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 93.0 mttt -80.45 -3.04 48.35 Favored 'General case' 0 N--CA 1.477 0.92 0 C-N-CA 124.779 1.232 . . . . 0.0 113.235 174.368 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 81.56 11.76 82.66 Favored Glycine 0 CA--C 1.533 1.199 0 C-N-CA 125.709 1.623 . . . . 0.0 116.222 177.3 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.9 tpt180 -153.43 89.11 1.32 Allowed 'General case' 0 N--CA 1.475 0.816 0 CA-C-N 119.185 1.492 . . . . 0.0 111.838 179.76 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 33.4 t -51.4 126.16 16.33 Favored 'General case' 0 CA--C 1.548 0.874 0 C-N-CA 125.174 1.39 . . . . 0.0 110.771 178.079 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 50.8 m -142.13 19.77 2.1 Favored 'General case' 0 N--CA 1.478 0.931 0 N-CA-C 114.744 1.386 . . . . 0.0 114.744 -175.23 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 mmm180 -77.2 145.27 37.72 Favored 'General case' 0 N--CA 1.479 0.981 0 O-C-N 121.018 -1.052 . . . . 0.0 111.521 177.584 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 41.1 tt0 -60.98 -39.02 88.06 Favored 'General case' 0 N--CA 1.481 1.097 0 C-N-CA 124.259 1.024 . . . . 0.0 112.715 -179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.0 t30 -144.79 92.18 2.25 Favored 'General case' 0 CA--C 1.536 0.427 0 C-N-CA 127.144 2.178 . . . . 0.0 107.003 176.991 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 49.1 t -80.05 114.65 19.12 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 124.151 0.981 . . . . 0.0 111.749 -176.75 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . 0.293 0.0 OUTLIER -134.2 35.53 3.25 Favored 'General case' 0 N--CA 1.478 0.93 0 C-N-CA 127.024 2.13 . . . . 0.0 112.119 177.952 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 38.9 m-85 -117.36 168.22 10.54 Favored 'General case' 0 CA--C 1.545 0.763 0 C-N-CA 127.198 2.199 . . . . 0.0 110.69 179.676 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 48.6 tp -84.76 135.07 34.28 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 120.885 -1.135 . . . . 0.0 112.315 -177.465 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 22.2 m170 -96.23 104.96 19.09 Favored Pre-proline 0 CA--C 1.545 0.779 0 C-N-CA 125.176 1.39 . . . . 0.0 107.465 174.111 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 92.4 Cg_endo -78.39 135.07 13.06 Favored 'Trans proline' 0 CA--C 1.546 1.112 0 C-N-CA 122.06 1.84 . . . . 0.0 115.211 -173.554 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 96.5 Cg_endo -70.36 163.37 39.01 Favored 'Trans proline' 0 CA--C 1.547 1.17 0 C-N-CA 123.652 2.902 . . . . 0.0 109.672 172.535 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 81.0 Cg_exo -42.96 -43.48 9.35 Favored 'Trans proline' 0 CA--C 1.54 0.8 0 C-N-CA 124.403 3.402 . . . . 0.0 117.556 -176.034 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -67.9 -44.84 76.01 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.503 1.047 . . . . 0.0 112.843 178.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 47.9 mt -71.74 -32.79 68.11 Favored 'General case' 0 N--CA 1.472 0.656 0 O-C-N 121.362 -0.836 . . . . 0.0 111.319 175.658 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 35.3 ttmt -60.9 -38.55 86.1 Favored 'General case' 0 N--CA 1.474 0.763 0 C-N-CA 124.955 1.302 . . . . 0.0 110.436 175.136 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 80.5 m -67.87 -43.84 78.49 Favored 'General case' 0 N--CA 1.473 0.682 0 C-N-CA 123.123 0.569 . . . . 0.0 110.27 173.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -61.19 -35.5 77.34 Favored 'General case' 0 N--CA 1.472 0.658 0 O-C-N 121.2 -0.937 . . . . 0.0 111.144 176.118 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -64.91 -50.47 66.37 Favored 'General case' 0 CA--C 1.531 0.243 0 C-N-CA 125.132 1.373 . . . . 0.0 110.25 176.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 10.0 pt-20 -64.31 -32.39 73.97 Favored 'General case' 0 N--CA 1.474 0.772 0 CA-C-N 119.88 1.218 . . . . 0.0 112.897 179.468 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 87.0 mt -66.29 -47.95 82.65 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 123.352 0.661 . . . . 0.0 109.553 174.239 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 51.0 t30 -59.25 -43.81 92.4 Favored 'General case' 0 CA--C 1.54 0.569 0 C-N-CA 124.003 0.921 . . . . 0.0 110.508 176.066 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -54.78 -58.89 11.45 Favored Glycine 0 C--N 1.337 0.617 0 C-N-CA 125.773 1.654 . . . . 0.0 112.137 176.32 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -55.66 -50.31 70.58 Favored 'General case' 0 N--CA 1.477 0.915 0 CA-C-N 118.444 1.122 . . . . 0.0 112.073 177.619 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 50.7 t30 -56.82 -46.4 81.68 Favored 'General case' 0 CA--C 1.547 0.853 0 C-N-CA 123.176 0.59 . . . . 0.0 112.305 179.137 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 3.5 t30 -68.42 -33.81 74.87 Favored 'General case' 0 CA--C 1.545 0.764 0 O-C-N 121.267 -0.895 . . . . 0.0 112.26 177.41 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 19.0 tp -66.25 -32.35 73.71 Favored 'General case' 0 CA--C 1.543 0.684 0 C-N-CA 124.767 1.227 . . . . 0.0 111.167 177.08 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 86.2 mt -75.53 -39.62 40.6 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.824 0 C-N-CA 124.21 1.004 . . . . 0.0 110.363 176.057 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -157.88 118.67 3.47 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 126.317 1.847 . . . . 0.0 110.134 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 29.9 pt20 -58.03 -25.44 61.17 Favored 'General case' 0 N--CA 1.478 0.942 0 N-CA-C 114.244 1.201 . . . . 0.0 114.244 178.972 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.3 tttt -71.86 -21.34 61.68 Favored 'General case' 0 N--CA 1.477 0.882 0 C-N-CA 124.923 1.289 . . . . 0.0 112.622 176.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 48.7 t30 . . . . . 0 CA--C 1.536 0.44 0 C-N-CA 126.022 1.729 . . . . 0.0 110.597 -179.47 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.881 0 O4'-C1'-N19 111.412 3.212 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 2 O4'-C1'-N19 116.931 8.731 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.371 0 N19-C1'-C2' 117.428 2.517 OUTLIER-DELTA 0.052 6d . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.417 -2.966 0 O5'-C5'-C4' 114.678 3.199 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 C5'--C4' 1.544 2.633 1 O4'-C1'-N19 114.147 5.947 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.621 2.793 0 O4'-C1'-N19 110.676 2.476 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.327 0 O4'-C1'-N19 111.774 3.574 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.547 1 C3'-C2'-C1' 106.077 5.086 . 0.01 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.531 2 O4'-C1'-N19 115.78 7.58 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.411 -3.507 0 O5'-C5'-C4' 115.212 3.58 OUTLIER-DELTA 0.113 &a . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.58 0 O4'-C1'-N19 111.489 3.289 . 0.0 OUTLIER '7D dist 7p' 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.775 0 O4'-C1'-N19 111.942 3.742 . 0.011 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.414 0 O4'-C1'-N19 110.926 2.726 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.362 0 O4'-C1'-N19 111.331 3.131 . 0.345 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.614 2.052 0 O4'-C1'-N19 111.225 3.025 . 0.522 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.5 ttt . . . . . 0 CA--C 1.545 0.752 0 N-CA-C 112.798 0.666 . . . . 0.0 112.798 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -138.74 13.69 2.71 Favored 'General case' 0 CA--C 1.55 0.962 0 C-N-CA 125.915 1.686 . . . . 0.0 113.496 -179.628 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 28.2 m -140.03 163.65 23.93 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.993 0 C-N-CA 126.212 1.805 . . . . 0.0 111.677 -179.541 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 23.7 m -153.88 161.97 41.6 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 126.081 1.752 . . . . 0.0 111.159 179.067 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 12.7 p -150.75 157.16 5.85 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 125.317 1.447 . . . . 0.0 111.152 179.621 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 23.4 m -62.39 132.79 94.3 Favored Pre-proline 0 N--CA 1.476 0.827 0 C-N-CA 124.963 1.305 . . . . 0.0 111.237 179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 51.6 Cg_exo -53.81 157.5 10.12 Favored 'Trans proline' 0 C--N 1.354 0.817 0 C-N-CA 123.714 2.943 . . . . 0.0 115.167 178.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.2 pt -79.96 160.08 4.26 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.764 0 C-N-CA 124.68 1.192 . . . . 0.0 112.636 178.525 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . 0.417 ' HD3' ' C6 ' ' B' ' 102' ' ' ' U' . 17.5 ptp180 -54.69 124.06 15.2 Favored 'General case' 0 N--CA 1.478 0.932 0 C-N-CA 125.418 1.487 . . . . 0.0 112.332 178.085 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 26.6 t0 -78.31 100.0 6.55 Favored 'General case' 0 CA--C 1.543 0.686 0 N-CA-C 114.908 1.447 . . . . 0.0 114.908 -174.752 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.0 p -63.05 -14.17 44.86 Favored 'General case' 0 N--CA 1.479 0.983 0 O-C-N 119.883 -1.761 . . . . 0.0 114.653 176.699 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 58.2 tttp -60.85 -29.91 69.81 Favored 'General case' 0 N--CA 1.477 0.911 0 C-N-CA 124.12 0.968 . . . . 0.0 113.037 178.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 11.0 p-90 -78.62 -16.6 57.18 Favored 'General case' 0 CA--C 1.541 0.618 0 O-C-N 121.76 -0.587 . . . . 0.0 112.21 175.386 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 62.6 mt -98.48 -16.58 19.15 Favored 'General case' 0 CA--C 1.543 0.709 0 C-N-CA 125.653 1.581 . . . . 0.0 113.376 177.045 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -79.84 146.31 32.3 Favored 'General case' 0 N--CA 1.48 1.063 0 CA-C-N 120.605 1.548 . . . . 0.0 114.069 -178.889 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 92.3 mt -133.49 138.06 45.94 Favored 'General case' 0 N--CA 1.472 0.629 0 C-N-CA 126.541 1.936 . . . . 0.0 109.339 175.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 26.7 tt0 -76.56 142.52 40.77 Favored 'General case' 0 CA--C 1.542 0.644 0 C-N-CA 124.605 1.162 . . . . 0.0 113.806 -176.247 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 60.5 t -88.29 140.0 16.49 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.512 0 C-N-CA 127.079 2.151 . . . . 0.0 110.506 179.334 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 42.3 t -57.45 136.46 56.66 Favored 'General case' 0 CA--C 1.545 0.78 0 C-N-CA 124.218 1.007 . . . . 0.0 112.298 179.158 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 58.3 ttt85 -63.71 -51.91 62.91 Favored 'General case' 0 N--CA 1.473 0.706 0 C-N-CA 124.063 0.945 . . . . 0.0 110.864 179.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 43.2 mt-10 -63.43 -28.84 70.25 Favored 'General case' 0 CA--C 1.539 0.534 0 C-N-CA 123.858 0.863 . . . . 0.0 112.454 178.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 80.2 t80 -66.22 -41.38 90.19 Favored 'General case' 0 CA--C 1.538 0.511 0 O-C-N 120.969 -1.082 . . . . 0.0 110.539 174.842 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 39.6 mt-30 -68.05 -32.4 72.72 Favored 'General case' 0 CA--C 1.543 0.701 0 C-N-CA 124.06 0.944 . . . . 0.0 111.703 175.77 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 52.1 mmt-85 -78.79 -11.84 60.0 Favored 'General case' 0 N--CA 1.483 1.208 0 C-N-CA 123.969 0.908 . . . . 0.0 112.974 174.691 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 78.25 29.78 52.39 Favored Glycine 0 CA--C 1.536 1.37 0 C-N-CA 124.972 1.272 . . . . 0.0 114.01 -179.492 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 42.1 p -121.86 -18.71 6.96 Favored 'General case' 0 N--CA 1.479 0.981 0 N-CA-C 115.123 1.527 . . . . 0.0 115.123 -176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 6.2 t -64.19 135.77 56.6 Favored 'General case' 0 CA--C 1.548 0.887 0 CA-C-N 119.942 1.247 . . . . 0.0 110.204 176.802 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 49.7 m -136.74 59.88 1.68 Allowed 'General case' 0 N--CA 1.476 0.861 0 C-N-CA 124.304 1.041 . . . . 0.0 113.292 -175.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.0 ptp180 -159.86 154.89 21.36 Favored Pre-proline 0 N--CA 1.479 1.013 0 C-N-CA 126.286 1.835 . . . . 0.0 111.145 176.85 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 72.7 Cg_endo -69.04 155.18 69.11 Favored 'Trans proline' 0 CA--C 1.536 0.599 0 C-N-CA 122.192 1.928 . . . . 0.0 110.876 177.592 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 7.1 p-10 -54.05 -31.86 52.79 Favored 'General case' 0 N--CA 1.475 0.804 0 N-CA-C 113.439 0.903 . . . . 0.0 113.439 178.835 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.4 m -64.56 -26.17 68.29 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 124.973 1.309 . . . . 0.0 112.897 177.456 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -100.72 -20.38 15.62 Favored 'General case' 0 CA--C 1.545 0.781 0 C-N-CA 125.4 1.48 . . . . 0.0 112.248 179.32 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 3.7 t -82.73 170.07 15.49 Favored 'General case' 0 CA--C 1.549 0.937 0 C-N-CA 124.993 1.317 . . . . 0.0 112.391 177.417 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 22.2 pttp -92.43 -8.03 45.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 126.183 1.793 . . . . 0.0 114.472 -179.538 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 41.9 m-85 -142.39 -179.92 6.56 Favored 'General case' 0 CA--C 1.544 0.73 0 C-N-CA 126.818 2.047 . . . . 0.0 111.632 -179.064 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.64 148.44 23.32 Favored 'General case' 0 CA--C 1.547 0.848 0 N-CA-C 113.416 0.895 . . . . 0.0 113.416 -175.462 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 49.7 m170 -120.2 78.26 25.81 Favored Pre-proline 0 CA--C 1.553 1.091 0 C-N-CA 126.557 1.943 . . . . 0.0 111.014 179.169 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 74.5 Cg_endo -68.58 165.17 30.22 Favored 'Trans proline' 0 CA--C 1.537 0.662 0 C-N-CA 124.362 3.375 . . . . 0.0 114.754 -178.174 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 68.9 m -105.38 169.26 8.56 Favored 'General case' 0 N--CA 1.469 0.523 0 C-N-CA 126.161 1.784 . . . . 0.0 110.946 178.443 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 3.1 tppp? -55.7 -31.09 62.15 Favored 'General case' 0 N--CA 1.48 1.042 0 C-N-CA 124.563 1.145 . . . . 0.0 113.855 179.693 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 20.0 m -76.22 -19.42 58.4 Favored 'General case' 0 N--CA 1.473 0.709 0 C-N-CA 125.349 1.459 . . . . 0.0 114.141 178.602 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 72.7 m -71.52 142.13 50.13 Favored 'General case' 0 CA--C 1.54 0.574 0 O-C-N 121.316 -0.865 . . . . 0.0 111.191 179.597 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 78.1 mm-40 -81.57 58.25 3.64 Favored 'General case' 0 N--CA 1.475 0.805 0 CA-C-O 121.837 0.827 . . . . 0.0 111.787 177.672 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 19.2 t -66.64 133.75 30.89 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.737 0 C-N-CA 126.693 1.997 . . . . 0.0 111.102 -179.778 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -154.11 144.87 22.5 Favored 'General case' 0 N--CA 1.475 0.778 0 C-N-CA 124.118 0.967 . . . . 0.0 112.667 176.797 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 64.6 t30 43.38 31.97 0.45 Allowed 'General case' 0 CA--C 1.555 1.167 0 C-N-CA 126.545 1.938 . . . . 0.0 115.441 179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 86.82 9.96 73.45 Favored Glycine 0 CA--C 1.538 1.521 0 O-C-N 120.827 -1.171 . . . . 0.0 115.926 -179.716 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -138.35 167.72 21.27 Favored 'General case' 0 N--CA 1.481 1.094 0 CA-C-N 119.94 1.87 . . . . 0.0 112.331 178.343 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.64 141.21 30.21 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.686 0 C-N-CA 124.189 0.996 . . . . 0.0 108.892 179.272 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 47.4 mt -73.94 126.57 34.87 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.614 0 N-CA-C 107.164 -1.421 . . . . 0.0 107.164 173.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -82.17 152.03 26.65 Favored 'General case' 0 CA--C 1.545 0.765 0 C-N-CA 123.876 0.87 . . . . 0.0 112.594 -179.815 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 36.8 t -71.78 106.76 4.27 Favored 'General case' 0 CA--C 1.549 0.941 0 C-N-CA 125.231 1.412 . . . . 0.0 110.584 179.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 26.9 t80 -57.05 -39.91 75.78 Favored 'General case' 0 N--CA 1.475 0.785 0 C-N-CA 124.869 1.268 . . . . 0.0 111.559 179.542 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 66.7 m-20 -64.74 -42.43 95.19 Favored 'General case' 0 CA--C 1.547 0.842 0 C-N-CA 123.41 0.684 . . . . 0.0 111.651 177.457 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -68.75 -37.8 79.67 Favored 'General case' 0 N--CA 1.473 0.69 0 O-C-N 121.135 -0.978 . . . . 0.0 112.048 175.901 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 22.9 mt -59.18 -26.01 64.44 Favored 'General case' 0 N--CA 1.473 0.716 0 C-N-CA 124.739 1.216 . . . . 0.0 112.642 176.089 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 68.6 mttm -98.33 7.17 46.59 Favored 'General case' 0 N--CA 1.473 0.724 0 C-N-CA 125.847 1.659 . . . . 0.0 112.963 176.723 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.05 6.3 69.48 Favored Glycine 0 CA--C 1.533 1.2 0 N-CA-C 117.918 1.927 . . . . 0.0 117.918 174.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.8 tpp180 -152.51 88.12 1.34 Allowed 'General case' 0 N--CA 1.477 0.912 0 CA-C-N 120.189 1.995 . . . . 0.0 112.884 179.413 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.1 t -53.43 128.1 27.41 Favored 'General case' 0 CA--C 1.549 0.932 0 C-N-CA 125.041 1.336 . . . . 0.0 110.303 176.645 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 45.5 m -144.47 19.91 1.7 Allowed 'General case' 0 N--CA 1.477 0.912 0 N-CA-C 115.001 1.482 . . . . 0.0 115.001 -174.671 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -71.36 143.08 50.33 Favored 'General case' 0 N--CA 1.479 0.977 0 O-C-N 120.62 -1.3 . . . . 0.0 112.708 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 39.8 tt0 -63.82 -32.76 74.37 Favored 'General case' 0 N--CA 1.478 0.945 0 C-N-CA 123.785 0.834 . . . . 0.0 111.546 177.059 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -146.48 94.36 2.44 Favored 'General case' 0 CA--C 1.539 0.549 0 C-N-CA 127.152 2.181 . . . . 0.0 107.16 175.489 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.2 t -79.84 113.52 18.06 Favored 'General case' 0 CA--C 1.543 0.694 0 CA-C-O 122.413 1.102 . . . . 0.0 110.218 -175.193 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 58.4 pttt -127.59 12.51 6.9 Favored 'General case' 0 N--CA 1.476 0.838 0 C-N-CA 127.995 2.518 . . . . 0.0 112.76 -175.678 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 30.4 m-85 -104.12 169.62 8.38 Favored 'General case' 0 CA--C 1.538 0.494 0 C-N-CA 126.083 1.753 . . . . 0.0 111.941 -177.407 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.5 tp -84.78 135.14 34.24 Favored 'General case' 0 CA--C 1.536 0.415 0 C-N-CA 123.894 0.877 . . . . 0.0 111.112 -178.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 17.9 m170 -102.01 104.71 37.83 Favored Pre-proline 0 CA--C 1.546 0.807 0 N-CA-C 106.029 -1.841 . . . . 0.0 106.029 170.772 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 62.7 Cg_endo -85.71 160.57 10.65 Favored 'Trans proline' 0 CA--C 1.546 1.086 0 C-N-CA 123.092 2.528 . . . . 0.0 113.472 -177.038 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 87.6 Cg_endo -74.34 158.59 44.53 Favored 'Trans proline' 0 CA--C 1.544 0.991 0 C-N-CA 123.713 2.942 . . . . 0.0 111.824 177.863 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_exo -45.19 -43.46 16.37 Favored 'Trans proline' 0 CA--C 1.54 0.817 0 C-N-CA 124.679 3.586 . . . . 0.0 116.579 -179.076 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 17.4 p-80 -62.74 -40.55 97.58 Favored 'General case' 0 N--CA 1.475 0.776 0 O-C-N 121.243 -0.911 . . . . 0.0 112.053 178.147 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 9.9 tp -79.54 -28.3 41.26 Favored 'General case' 0 CA--C 1.544 0.739 0 C-N-CA 123.889 0.876 . . . . 0.0 111.46 178.48 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 89.7 mttt -60.01 -39.98 87.67 Favored 'General case' 0 N--CA 1.482 1.154 0 CA-C-N 119.342 0.974 . . . . 0.0 109.664 170.465 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 55.9 m -64.2 -44.77 90.94 Favored 'General case' 0 N--CA 1.473 0.705 0 C-N-CA 123.411 0.685 . . . . 0.0 110.416 176.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 17.4 tp60 -60.95 -37.82 83.69 Favored 'General case' 0 CA--C 1.541 0.6 0 O-C-N 121.737 -0.602 . . . . 0.0 111.191 176.058 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.9 tm? -65.33 -46.82 78.75 Favored 'General case' 0 CA--C 1.537 0.466 0 C-N-CA 124.263 1.025 . . . . 0.0 110.529 176.521 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 5.3 tm-20 -56.49 -44.55 80.77 Favored 'General case' 0 CA--C 1.538 0.487 0 C-N-CA 123.241 0.616 . . . . 0.0 110.181 177.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 77.7 mt -63.04 -45.46 98.73 Favored 'Isoleucine or valine' 0 CA--C 1.541 0.621 0 C-N-CA 124.294 1.038 . . . . 0.0 110.916 176.075 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.0 t30 -53.75 -45.22 70.5 Favored 'General case' 0 N--CA 1.472 0.637 0 C-N-CA 124.553 1.141 . . . . 0.0 112.222 179.411 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -83.96 -44.93 6.51 Favored Glycine 0 CA--C 1.529 0.962 0 CA-C-O 119.546 -0.586 . . . . 0.0 114.239 178.757 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 61.8 ttt-85 -61.08 -34.2 74.55 Favored 'General case' 0 N--CA 1.479 0.983 0 CA-C-N 119.144 1.472 . . . . 0.0 112.815 -178.845 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 57.4 t30 -59.81 -28.11 67.17 Favored 'General case' 0 CA--C 1.548 0.893 0 CA-C-N 118.775 0.716 . . . . 0.0 112.4 175.175 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 62.5 t30 -80.52 -38.08 30.41 Favored 'General case' 0 CA--C 1.542 0.648 0 O-C-N 121.54 -0.725 . . . . 0.0 110.847 174.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.593 HD11 " H2'" ' B' ' 103' ' ' ' U' . 53.0 mt -61.31 -36.97 81.6 Favored 'General case' 0 N--CA 1.476 0.86 0 C-N-CA 123.672 0.789 . . . . 0.0 111.489 176.303 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 78.9 mt -65.55 -18.96 24.83 Favored 'Isoleucine or valine' 0 CA--C 1.55 0.949 0 C-N-CA 125.731 1.612 . . . . 0.0 111.912 176.316 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 45.8 mt-30 -122.36 29.66 6.87 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.417 1.487 . . . . 0.0 114.65 -175.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 39.2 mt-30 -58.04 -24.6 59.04 Favored 'General case' 0 N--CA 1.479 0.996 0 N-CA-C 113.916 1.08 . . . . 0.0 113.916 178.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 24.6 ttmm -63.4 -29.94 71.15 Favored 'General case' 0 N--CA 1.476 0.875 0 C-N-CA 125.113 1.365 . . . . 0.0 113.06 177.168 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.544 0.72 0 C-N-CA 125.113 1.365 . . . . 0.0 111.332 179.612 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.948 1 O4'-C1'-N19 114.335 6.135 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.237 0 O4'-C1'-N19 111.925 3.725 . 0.736 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.469 0 C4'-C3'-C2' 100.028 -2.672 . 0.611 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 C4'-C3'-C2' 100.868 -1.832 . 0.869 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.801 0 O4'-C1'-C2' 101.083 -3.798 . 0.203 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.618 1 O4'-C1'-N19 112.746 4.546 OUTLIER-DELTA 0.0 OUTLIER gamma 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.418 -2.92 0 O3'-P-O5' 97.327 -3.512 . 0.01 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . 0.417 ' C6 ' ' HD3' ' A' ' 9' ' ' ARG . . . . . . . . 0 O4'--C4' 1.423 -2.479 1 C3'-C2'-C1' 106.055 5.061 . 0.01 1a . 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.593 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 P--O5' 1.618 2.536 3 O4'-C1'-N19 114.959 6.759 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.444 0 C4'-C3'-C2' 99.053 -3.647 . 0.425 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.467 0 O4'-C1'-C2' 102.205 -2.996 . 0.065 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.422 1 O4'-C1'-N19 112.986 4.786 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.559 1 O4'-C1'-N19 112.796 4.596 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.465 0 O4'-C1'-N19 111.137 2.937 . 0.022 6d . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.285 0 O4'-C1'-N19 110.807 2.607 . 0.37 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.3 mpt? . . . . . 0 CA--C 1.545 0.768 0 N-CA-C 113.185 0.809 . . . . 0.0 113.185 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -136.93 5.74 2.85 Favored 'General case' 0 CA--C 1.549 0.933 0 C-N-CA 125.508 1.523 . . . . 0.0 114.284 -178.683 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 18.8 t -140.89 146.19 24.28 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.991 0 C-N-CA 125.631 1.572 . . . . 0.0 109.843 179.81 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 77.8 p -155.45 167.85 29.02 Favored 'General case' 0 N--CA 1.474 0.757 0 C-N-CA 125.591 1.557 . . . . 0.0 112.025 179.437 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 27.8 m -65.55 156.52 6.02 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.996 0 C-N-CA 124.312 1.045 . . . . 0.0 112.826 179.251 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 10.1 m -62.47 129.57 92.67 Favored Pre-proline 0 N--CA 1.476 0.86 0 C-N-CA 124.398 1.079 . . . . 0.0 111.709 -179.328 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 74.1 Cg_exo -54.21 -32.43 70.6 Favored 'Trans proline' 0 C--N 1.354 0.867 0 C-N-CA 123.936 3.091 . . . . 0.0 115.727 179.394 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 48.3 pt -120.1 160.04 20.87 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.723 0 C-N-CA 126.382 1.873 . . . . 0.0 112.856 -178.623 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 96.0 mtt180 -69.17 171.25 8.64 Favored 'General case' 0 N--CA 1.477 0.878 0 C-N-CA 125.71 1.604 . . . . 0.0 112.189 177.807 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 14.4 t0 -138.39 99.88 3.96 Favored 'General case' 0 CA--C 1.541 0.616 0 C-N-CA 124.359 1.063 . . . . 0.0 112.826 -176.76 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 28.6 p -68.1 -12.99 61.86 Favored 'General case' 0 N--CA 1.48 1.03 0 O-C-N 120.562 -1.336 . . . . 0.0 114.569 179.121 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 83.1 tttt -56.13 -27.4 53.91 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 124.791 1.236 . . . . 0.0 113.439 178.459 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.9 p-90 -86.61 -17.9 32.76 Favored 'General case' 0 CA--C 1.54 0.57 0 N-CA-C 112.765 0.654 . . . . 0.0 112.765 175.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 57.9 mt -94.12 -15.75 24.4 Favored 'General case' 0 CA--C 1.543 0.674 0 C-N-CA 125.52 1.528 . . . . 0.0 112.754 176.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 2.5 p -79.77 152.21 29.93 Favored 'General case' 0 N--CA 1.477 0.9 0 CA-C-N 120.399 1.454 . . . . 0.0 114.179 179.077 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 52.7 mt -133.08 145.35 50.67 Favored 'General case' 0 N--CA 1.471 0.615 0 C-N-CA 126.869 2.067 . . . . 0.0 108.363 173.456 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 46.1 mt-10 -80.25 141.37 35.62 Favored 'General case' 0 N--CA 1.469 0.516 0 N-CA-C 113.524 0.935 . . . . 0.0 113.524 -175.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 87.3 t -81.92 139.68 17.59 Favored 'Isoleucine or valine' 0 N--CA 1.47 0.556 0 C-N-CA 124.947 1.299 . . . . 0.0 109.272 176.574 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 37.1 t -57.72 132.81 54.42 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 124.051 0.941 . . . . 0.0 111.956 -179.593 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 96.6 mtt-85 -65.29 -41.85 93.71 Favored 'General case' 0 N--CA 1.475 0.796 0 C-N-CA 123.899 0.88 . . . . 0.0 111.503 -179.699 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -72.74 -26.86 61.72 Favored 'General case' 0 CA--C 1.541 0.634 0 C-N-CA 123.364 0.666 . . . . 0.0 111.703 178.602 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 84.4 t80 -67.41 -42.74 82.77 Favored 'General case' 0 N--CA 1.469 0.514 0 O-C-N 120.729 -1.232 . . . . 0.0 110.362 174.343 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.8 mt-30 -65.3 -35.64 81.63 Favored 'General case' 0 CA--C 1.543 0.675 0 C-N-CA 124.205 1.002 . . . . 0.0 111.54 175.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 77.7 mtp180 -75.0 -16.37 60.62 Favored 'General case' 0 N--CA 1.48 1.067 0 C-N-CA 124.94 1.296 . . . . 0.0 113.089 175.323 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.01 30.98 44.8 Favored Glycine 0 CA--C 1.536 1.402 0 C-N-CA 125.013 1.292 . . . . 0.0 113.458 -178.578 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 54.1 p -124.81 -13.71 6.87 Favored 'General case' 0 N--CA 1.477 0.919 0 N-CA-C 115.479 1.659 . . . . 0.0 115.479 -175.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 10.6 t -64.89 145.5 56.21 Favored 'General case' 0 CA--C 1.549 0.921 0 CA-C-N 119.965 1.257 . . . . 0.0 111.166 177.777 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 48.5 p -140.08 59.69 1.57 Allowed 'General case' 0 N--CA 1.473 0.694 0 C-N-CA 124.459 1.104 . . . . 0.0 113.072 -179.079 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.8 mtm180 -149.6 148.75 26.74 Favored Pre-proline 0 N--CA 1.478 0.946 0 C-N-CA 126.825 2.05 . . . . 0.0 110.116 176.171 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.8 Cg_endo -72.74 157.77 51.49 Favored 'Trans proline' 0 CA--C 1.537 0.661 0 C-N-CA 121.986 1.791 . . . . 0.0 110.149 175.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 25.4 t70 -51.32 -32.45 25.24 Favored 'General case' 0 N--CA 1.476 0.834 0 C-N-CA 124.029 0.932 . . . . 0.0 112.237 176.368 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.6 m -64.35 -24.76 67.75 Favored 'General case' 0 N--CA 1.466 0.353 0 C-N-CA 127.622 2.369 . . . . 0.0 115.006 178.837 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.3 mt-10 -120.0 -20.31 7.52 Favored 'General case' 0 N--CA 1.475 0.801 0 N-CA-C 114.262 1.208 . . . . 0.0 114.262 -176.613 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.3 t -71.3 155.16 41.0 Favored 'General case' 0 CA--C 1.547 0.853 0 CA-C-O 121.792 0.806 . . . . 0.0 111.679 178.193 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 14.5 mmmm -74.83 -9.69 58.79 Favored 'General case' 0 N--CA 1.477 0.912 0 C-N-CA 125.07 1.348 . . . . 0.0 113.997 -179.764 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 78.7 m-85 -137.79 -179.93 6.05 Favored 'General case' 0 CA--C 1.544 0.719 0 C-N-CA 126.432 1.893 . . . . 0.0 111.985 -177.811 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.88 143.38 26.84 Favored 'General case' 0 CA--C 1.546 0.793 0 N-CA-C 113.879 1.066 . . . . 0.0 113.879 -175.159 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.9 m170 -120.09 71.11 15.96 Favored Pre-proline 0 CA--C 1.552 1.038 0 C-N-CA 127.055 2.142 . . . . 0.0 110.863 177.426 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.5 Cg_endo -71.62 165.12 33.48 Favored 'Trans proline' 0 CA--C 1.537 0.656 0 C-N-CA 123.974 3.116 . . . . 0.0 114.035 -178.371 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 71.2 m -105.38 167.8 9.5 Favored 'General case' 0 N--CA 1.469 0.484 0 C-N-CA 125.728 1.611 . . . . 0.0 110.212 176.609 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 68.8 mttm -55.73 -26.34 44.89 Favored 'General case' 0 N--CA 1.483 1.176 0 N-CA-C 114.411 1.263 . . . . 0.0 114.411 -179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 16.4 m -78.54 -16.37 57.53 Favored 'General case' 0 CA--C 1.541 0.617 0 C-N-CA 125.586 1.554 . . . . 0.0 114.197 178.619 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 76.5 m -77.88 157.04 30.01 Favored 'General case' 0 CA--C 1.544 0.714 0 CA-C-N 119.15 0.886 . . . . 0.0 112.423 -179.409 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -76.28 50.08 0.61 Allowed 'General case' 0 CA--C 1.553 1.093 0 C-N-CA 125.309 1.444 . . . . 0.0 112.209 177.488 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 5.9 t -67.09 127.23 28.28 Favored 'Isoleucine or valine' 0 N--CA 1.476 0.844 0 O-C-N 120.874 -1.141 . . . . 0.0 109.361 179.705 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -150.65 130.11 12.97 Favored 'General case' 0 CA--C 1.541 0.62 0 C-N-CA 124.348 1.059 . . . . 0.0 111.413 -176.339 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.6 t30 45.91 36.91 3.18 Favored 'General case' 0 CA--C 1.555 1.145 0 C-N-CA 125.77 1.628 . . . . 0.0 115.249 179.545 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 82.33 11.34 82.31 Favored Glycine 0 CA--C 1.538 1.511 0 O-C-N 121.053 -1.029 . . . . 0.0 115.458 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 6.7 mpt_? -131.93 167.42 19.66 Favored 'General case' 0 N--CA 1.474 0.739 0 C-N-CA 126.625 1.97 . . . . 0.0 110.733 -179.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -141.04 137.34 34.22 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.758 0 N-CA-C 107.423 -1.325 . . . . 0.0 107.423 174.677 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 20.8 mt -74.86 129.49 36.73 Favored 'Isoleucine or valine' 0 CA--C 1.54 0.56 0 N-CA-C 106.815 -1.55 . . . . 0.0 106.815 174.815 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -83.02 151.99 25.59 Favored 'General case' 0 CA--C 1.545 0.759 0 C-N-CA 123.716 0.807 . . . . 0.0 112.513 -179.436 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 38.3 t -74.76 109.83 8.56 Favored 'General case' 0 CA--C 1.544 0.721 0 C-N-CA 125.059 1.344 . . . . 0.0 110.241 179.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.0 t80 -57.37 -45.73 84.13 Favored 'General case' 0 N--CA 1.473 0.692 0 C-N-CA 124.357 1.063 . . . . 0.0 110.959 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.5 m-20 -60.83 -38.43 85.43 Favored 'General case' 0 CA--C 1.547 0.834 0 O-C-N 121.615 -0.678 . . . . 0.0 111.925 179.208 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 25.7 t -70.32 -39.86 74.51 Favored 'General case' 0 N--CA 1.472 0.647 0 O-C-N 121.333 -0.854 . . . . 0.0 111.66 174.295 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 20.2 mt -58.29 -29.62 65.99 Favored 'General case' 0 N--CA 1.473 0.684 0 C-N-CA 124.57 1.148 . . . . 0.0 112.101 175.428 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 46.4 mmtm -93.86 5.45 51.63 Favored 'General case' 0 N--CA 1.476 0.844 0 C-N-CA 125.469 1.508 . . . . 0.0 113.263 176.253 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.01 5.92 70.07 Favored Glycine 0 CA--C 1.534 1.265 0 N-CA-C 118.566 2.186 . . . . 0.0 118.566 173.524 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 4.4 tmt_? -152.67 88.68 1.35 Allowed 'General case' 0 N--CA 1.479 1.001 0 CA-C-N 120.419 2.11 . . . . 0.0 112.104 178.852 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 39.1 t -52.88 126.18 19.41 Favored 'General case' 0 CA--C 1.548 0.894 0 C-N-CA 125.019 1.328 . . . . 0.0 111.16 178.503 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 17.6 m -146.72 19.87 1.3 Allowed 'General case' 0 N--CA 1.476 0.845 0 C-N-CA 124.878 1.271 . . . . 0.0 114.221 -174.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 2.1 tpm_? -65.03 145.08 56.81 Favored 'General case' 0 N--CA 1.477 0.892 0 N-CA-C 114.54 1.311 . . . . 0.0 114.54 -176.242 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 14.1 pt-20 -60.26 -30.92 69.75 Favored 'General case' 0 N--CA 1.478 0.955 0 C-N-CA 124.658 1.183 . . . . 0.0 113.006 176.857 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 32.6 t30 -156.46 95.58 1.58 Allowed 'General case' 0 CA--C 1.54 0.57 0 C-N-CA 127.975 2.51 . . . . 0.0 106.34 176.661 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 11.4 t -79.95 112.0 16.82 Favored 'General case' 0 CA--C 1.543 0.695 0 CA-C-O 122.626 1.203 . . . . 0.0 110.779 -174.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 63.6 pttt -132.19 0.65 3.79 Favored 'General case' 0 N--CA 1.478 0.936 0 C-N-CA 128.217 2.607 . . . . 0.0 112.505 -178.633 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 25.3 m-85 -89.93 167.69 12.61 Favored 'General case' 0 CA--C 1.545 0.753 0 C-N-CA 126.027 1.731 . . . . 0.0 111.272 -178.396 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 30.3 tp -84.68 135.18 34.27 Favored 'General case' 0 CA--C 1.536 0.408 0 O-C-N 120.972 -1.08 . . . . 0.0 112.088 -176.477 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 18.5 m170 -101.69 104.67 36.37 Favored Pre-proline 0 CA--C 1.548 0.868 0 N-CA-C 106.809 -1.552 . . . . 0.0 106.809 171.42 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 41.2 Cg_endo -89.73 161.44 5.18 Favored 'Trans proline' 0 CA--C 1.547 1.156 0 C-N-CA 122.993 2.462 . . . . 0.0 112.385 -179.131 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 84.6 Cg_endo -72.0 160.4 47.69 Favored 'Trans proline' 0 CA--C 1.544 1.019 0 C-N-CA 123.29 2.66 . . . . 0.0 111.702 176.645 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 93.5 Cg_exo -44.3 -44.18 13.1 Favored 'Trans proline' 0 CA--C 1.538 0.704 0 C-N-CA 124.389 3.393 . . . . 0.0 116.218 -179.393 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 34.0 p-80 -62.27 -30.74 71.34 Favored 'General case' 0 N--CA 1.476 0.865 0 N-CA-C 113.515 0.932 . . . . 0.0 113.515 178.554 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 17.7 mt -86.03 -31.66 21.86 Favored 'General case' 0 CA--C 1.542 0.657 0 C-N-CA 124.403 1.081 . . . . 0.0 111.292 173.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 91.9 mttt -58.35 -46.34 86.46 Favored 'General case' 0 N--CA 1.482 1.164 0 CA-C-N 119.644 1.111 . . . . 0.0 110.32 174.391 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 91.5 m -60.52 -41.92 95.36 Favored 'General case' 0 N--CA 1.474 0.727 0 C-N-CA 123.038 0.535 . . . . 0.0 111.72 177.338 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 58.0 mt-30 -61.99 -40.23 94.93 Favored 'General case' 0 N--CA 1.471 0.615 0 O-C-N 121.68 -0.638 . . . . 0.0 110.954 176.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -62.69 -47.43 83.68 Favored 'General case' 0 CA--C 1.54 0.561 0 C-N-CA 124.14 0.976 . . . . 0.0 111.02 177.475 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 42.5 mm-40 -63.4 -38.42 91.08 Favored 'General case' 0 N--CA 1.472 0.645 0 O-C-N 121.37 -0.831 . . . . 0.0 112.366 178.294 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 83.5 mt -66.05 -48.16 82.56 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.753 0 C-N-CA 123.546 0.738 . . . . 0.0 110.092 176.385 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 20.0 m-80 -60.8 -41.9 96.55 Favored 'General case' 0 N--CA 1.468 0.474 0 C-N-CA 123.228 0.611 . . . . 0.0 111.25 177.273 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -57.69 -56.28 25.96 Favored Glycine 0 CA--C 1.524 0.613 0 C-N-CA 124.22 0.914 . . . . 0.0 111.864 176.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 89.3 mtm180 -60.47 -38.41 84.13 Favored 'General case' 0 N--CA 1.47 0.572 0 N-CA-C 112.803 0.668 . . . . 0.0 112.803 178.553 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 28.2 t-20 -65.27 -33.66 76.5 Favored 'General case' 0 CA--C 1.548 0.869 0 O-C-N 121.912 -0.492 . . . . 0.0 111.574 175.544 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 22.8 t30 -66.0 -30.91 71.53 Favored 'General case' 0 CA--C 1.547 0.84 0 N-CA-C 113.802 1.038 . . . . 0.0 113.802 179.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . 0.371 1.5 pt? -100.11 0.43 40.67 Favored 'General case' 0 N--CA 1.484 1.254 0 N-CA-C 114.465 1.283 . . . . 0.0 114.465 176.71 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 2.7 tt -64.07 -11.51 9.87 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.896 0 C-N-CA 125.397 1.479 . . . . 0.0 114.599 -175.631 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 1.2 pm0 -125.71 24.08 7.22 Favored 'General case' 0 N--CA 1.475 0.805 0 C-N-CA 125.547 1.539 . . . . 0.0 113.975 179.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 7.5 pt20 -51.34 -26.41 7.59 Favored 'General case' 0 N--CA 1.478 0.94 0 C-N-CA 125.782 1.633 . . . . 0.0 114.817 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 25.6 pttm -62.83 -30.08 71.22 Favored 'General case' 0 N--CA 1.476 0.833 0 C-N-CA 125.661 1.584 . . . . 0.0 114.141 176.639 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 44.9 t30 . . . . . 0 CA--C 1.543 0.699 0 C-N-CA 125.629 1.571 . . . . 0.0 111.449 -179.716 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.164 1 O4'-C1'-N19 112.369 4.169 . 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.369 0 O4'-C1'-N19 111.378 3.178 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.239 0 O4'-C1'-N19 111.296 3.096 . 0.504 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.554 0 O4'-C1'-N19 111.213 3.013 . 0.787 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.246 1 O4'-C1'-N19 114.093 5.893 . 0.528 1b . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.622 2.873 0 O4'-C1'-C2' 102.898 -2.501 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.792 0 C3'-C2'-C1' 104.303 3.114 . 0.06 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.38 0 C3'-C2'-C1' 105.009 3.899 . 0.021 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.6 1 P-O3'-C3' 125.0 4.417 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.52 0 C5'-C4'-O4' 114.586 3.847 . 0.415 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.618 2.534 1 O3'-P-O5' 95.6 -4.421 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.266 0 O3'-P-O5' 97.673 -3.33 . 0.022 6p . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.423 0 P-O3'-C3' 122.619 2.433 . 0.155 6g . 0.0 . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.621 1 O4'-C1'-N19 113.193 4.993 . 0.638 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.183 0 P-O3'-C3' 123.078 2.815 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 50.2 tpp . . . . . 0 CA--C 1.543 0.694 0 N-CA-C 112.707 0.632 . . . . 0.0 112.707 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -74.18 -7.01 51.13 Favored 'General case' 0 CA--C 1.551 0.995 0 C-N-CA 125.283 1.433 . . . . 0.0 114.256 178.789 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 34.8 m -65.54 166.39 1.43 Allowed 'Isoleucine or valine' 0 N--CA 1.476 0.874 0 C-N-CA 125.806 1.642 . . . . 0.0 113.307 179.372 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 91.8 p -145.52 175.24 10.49 Favored 'General case' 0 N--CA 1.474 0.764 0 C-N-CA 125.964 1.705 . . . . 0.0 110.962 178.451 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 3.3 m -63.36 134.22 28.6 Favored 'Isoleucine or valine' 0 N--CA 1.479 0.977 0 O-C-N 120.927 -1.108 . . . . 0.0 111.78 178.277 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 38.7 m -66.13 127.4 93.19 Favored Pre-proline 0 N--CA 1.474 0.763 0 C-N-CA 123.895 0.878 . . . . 0.0 111.146 -178.772 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 67.4 Cg_endo -76.1 -165.82 0.33 Allowed 'Trans proline' 0 CA--C 1.546 1.117 0 C-N-CA 124.311 3.341 . . . . 0.0 112.01 179.559 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -79.65 160.05 4.34 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.74 0 O-C-N 121.147 -0.971 . . . . 0.0 111.549 179.187 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 67.8 mtt180 0.15 89.89 0.01 OUTLIER 'General case' 0 N--CA 1.483 1.218 0 C-N-CA 129.629 3.172 . . . . 0.0 114.696 -177.691 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 32.4 t70 -63.36 99.81 0.21 Allowed 'General case' 0 CA--C 1.543 0.683 0 C-N-CA 126.456 1.903 . . . . 0.0 114.189 -176.035 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 22.0 p -66.87 -16.98 64.66 Favored 'General case' 0 N--CA 1.476 0.851 0 O-C-N 119.785 -1.822 . . . . 0.0 113.21 176.242 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 50.0 tptt -59.1 -26.32 64.58 Favored 'General case' 0 N--CA 1.475 0.783 0 C-N-CA 124.863 1.265 . . . . 0.0 113.491 178.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 16.2 p-90 -87.23 -21.04 26.08 Favored 'General case' 0 N--CA 1.474 0.739 0 CA-C-N 119.002 0.819 . . . . 0.0 112.2 174.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 49.6 mt -87.33 -15.28 38.41 Favored 'General case' 0 CA--C 1.542 0.655 0 C-N-CA 125.575 1.55 . . . . 0.0 112.986 176.014 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 1.1 p -79.8 144.44 33.54 Favored 'General case' 0 N--CA 1.477 0.879 0 N-CA-C 114.416 1.265 . . . . 0.0 114.416 -177.12 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 48.2 mt -130.11 134.91 47.67 Favored 'General case' 0 N--CA 1.476 0.825 0 C-N-CA 126.846 2.058 . . . . 0.0 110.349 176.13 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 82.5 tt0 -62.06 140.71 58.36 Favored 'General case' 0 N--CA 1.474 0.737 0 C-N-CA 125.553 1.541 . . . . 0.0 114.41 -177.346 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 96.2 t -90.25 140.02 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.473 0.707 0 C-N-CA 126.523 1.929 . . . . 0.0 110.404 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 22.7 t -61.94 124.12 19.92 Favored 'General case' 0 CA--C 1.546 0.79 0 C-N-CA 124.385 1.074 . . . . 0.0 112.932 -178.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -61.35 -35.88 78.66 Favored 'General case' 0 N--CA 1.475 0.79 0 C-N-CA 124.285 1.034 . . . . 0.0 112.293 178.799 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 2.7 mp0 -74.66 -32.13 62.15 Favored 'General case' 0 CA--C 1.541 0.61 0 C-N-CA 123.219 0.608 . . . . 0.0 111.083 178.127 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 89.8 t80 -65.6 -42.25 91.88 Favored 'General case' 0 N--CA 1.47 0.555 0 O-C-N 120.773 -1.204 . . . . 0.0 110.301 173.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 95.9 mt-30 -62.54 -16.18 54.62 Favored 'General case' 0 CA--C 1.544 0.743 0 C-N-CA 125.384 1.474 . . . . 0.0 113.651 175.294 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 1.9 mpt_? -111.99 0.12 15.92 Favored 'General case' 0 N--CA 1.478 0.952 0 C-N-CA 125.938 1.695 . . . . 0.0 112.686 177.8 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 71.18 28.0 70.89 Favored Glycine 0 CA--C 1.535 1.284 0 C-N-CA 124.912 1.244 . . . . 0.0 114.834 178.738 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 44.4 p -115.39 -14.97 11.59 Favored 'General case' 0 N--CA 1.479 1.019 0 N-CA-C 114.697 1.369 . . . . 0.0 114.697 -177.688 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 9.2 t -68.99 144.01 54.23 Favored 'General case' 0 CA--C 1.547 0.845 0 CA-C-N 119.402 1.001 . . . . 0.0 111.041 177.121 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 5.7 t -140.09 59.96 1.56 Allowed 'General case' 0 N--CA 1.472 0.641 0 C-N-CA 124.341 1.056 . . . . 0.0 112.518 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.5 mtm180 -149.24 150.1 30.95 Favored Pre-proline 0 N--CA 1.479 1.02 0 C-N-CA 126.576 1.95 . . . . 0.0 110.551 177.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 97.0 Cg_endo -72.96 156.71 52.09 Favored 'Trans proline' 0 CA--C 1.538 0.72 0 C-N-CA 122.109 1.873 . . . . 0.0 110.251 176.074 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -52.03 -33.15 37.37 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 124.003 0.921 . . . . 0.0 112.242 177.165 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 1.3 m -64.0 -24.67 67.8 Favored 'General case' 0 N--CA 1.467 0.396 0 C-N-CA 127.463 2.305 . . . . 0.0 114.968 178.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.1 mt-10 -120.01 -18.68 8.09 Favored 'General case' 0 N--CA 1.475 0.775 0 N-CA-C 114.36 1.244 . . . . 0.0 114.36 -176.602 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.8 t -70.1 163.61 25.88 Favored 'General case' 0 CA--C 1.549 0.919 0 CA-C-O 122.428 1.109 . . . . 0.0 112.9 179.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 61.7 pttt -73.49 -19.39 60.94 Favored 'General case' 0 N--CA 1.475 0.793 0 C-N-CA 126.557 1.943 . . . . 0.0 114.104 179.397 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 29.2 m-85 -141.89 -179.71 6.37 Favored 'General case' 0 CA--C 1.546 0.798 0 C-N-CA 127.208 2.203 . . . . 0.0 111.575 -176.289 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.86 148.89 22.9 Favored 'General case' 0 CA--C 1.546 0.811 0 N-CA-C 113.542 0.942 . . . . 0.0 113.542 -175.148 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 47.6 m170 -120.04 78.62 24.93 Favored Pre-proline 0 CA--C 1.552 1.044 0 C-N-CA 127.041 2.137 . . . . 0.0 111.021 -179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 61.4 Cg_endo -69.02 165.14 31.14 Favored 'Trans proline' 0 CA--C 1.536 0.62 0 C-N-CA 124.414 3.409 . . . . 0.0 115.188 -177.748 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 55.6 p -105.46 175.62 5.43 Favored 'General case' 0 N--CA 1.469 0.485 0 C-N-CA 126.367 1.867 . . . . 0.0 110.794 175.655 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 75.3 mmtt -63.77 -21.64 66.52 Favored 'General case' 0 N--CA 1.478 0.937 0 N-CA-C 113.327 0.862 . . . . 0.0 113.327 176.477 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 47.7 m -91.57 -17.13 26.09 Favored 'General case' 0 N--CA 1.473 0.71 0 C-N-CA 125.277 1.431 . . . . 0.0 113.68 178.59 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 63.8 m -65.58 147.35 53.55 Favored 'General case' 0 CA--C 1.538 0.496 0 CA-C-N 118.686 0.675 . . . . 0.0 112.362 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 72.2 mm-40 -81.39 64.4 6.1 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.317 1.047 . . . . 0.0 111.654 177.636 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 14.2 t -73.75 135.37 27.68 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.504 0 C-N-CA 125.236 1.415 . . . . 0.0 109.559 178.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 9.0 tp10 -154.98 135.52 13.42 Favored 'General case' 0 CA--C 1.541 0.604 0 C-N-CA 125.28 1.432 . . . . 0.0 110.823 179.577 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 65.8 t30 42.76 39.49 1.7 Allowed 'General case' 0 CA--C 1.554 1.129 0 C-N-CA 126.228 1.811 . . . . 0.0 115.5 178.472 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 81.59 13.25 80.46 Favored Glycine 0 CA--C 1.537 1.449 0 O-C-N 120.879 -1.138 . . . . 0.0 115.414 -179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.1 mpt_? -131.05 169.2 16.18 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 126.915 2.086 . . . . 0.0 110.556 179.406 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -129.21 137.97 55.65 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.901 0 N-CA-C 107.292 -1.373 . . . . 0.0 107.292 172.683 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 69.3 mt -72.86 127.54 34.94 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.552 0 N-CA-C 107.214 -1.402 . . . . 0.0 107.214 173.697 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -87.56 152.06 22.5 Favored 'General case' 0 CA--C 1.546 0.803 0 C-N-CA 124.094 0.958 . . . . 0.0 113.026 -179.404 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 48.9 t -71.35 106.09 3.75 Favored 'General case' 0 CA--C 1.547 0.837 0 C-N-CA 125.82 1.648 . . . . 0.0 110.554 179.706 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 55.4 t80 -52.51 -42.52 64.38 Favored 'General case' 0 N--CA 1.473 0.695 0 C-N-CA 124.403 1.081 . . . . 0.0 111.902 179.752 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 69.4 m-20 -64.11 -32.88 74.61 Favored 'General case' 0 CA--C 1.548 0.9 0 O-C-N 121.57 -0.707 . . . . 0.0 112.007 176.718 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 24.7 t -69.36 -41.65 76.29 Favored 'General case' 0 N--CA 1.471 0.59 0 O-C-N 121.362 -0.836 . . . . 0.0 110.632 173.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 2.0 mm? -59.69 -33.06 71.09 Favored 'General case' 0 N--CA 1.474 0.743 0 CA-C-N 119.412 1.006 . . . . 0.0 111.772 175.056 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 5.4 mptp? -81.09 -2.46 48.33 Favored 'General case' 0 N--CA 1.476 0.857 0 C-N-CA 124.814 1.246 . . . . 0.0 112.831 176.036 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 89.41 7.08 69.96 Favored Glycine 0 CA--C 1.529 0.925 0 C-N-CA 126.279 1.895 . . . . 0.0 117.291 174.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 34.8 tpt85 -154.64 92.24 1.46 Allowed 'General case' 0 N--CA 1.472 0.663 0 CA-C-N 119.391 1.595 . . . . 0.0 111.851 178.229 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 48.3 t -56.8 131.3 48.96 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 123.94 0.896 . . . . 0.0 109.345 174.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 5.7 t -154.35 19.94 0.48 Allowed 'General case' 0 N--CA 1.474 0.74 0 N-CA-C 114.18 1.178 . . . . 0.0 114.18 -177.092 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 11.8 tpt180 -89.8 134.7 34.05 Favored 'General case' 0 N--CA 1.476 0.864 0 O-C-N 120.916 -1.115 . . . . 0.0 111.714 -179.591 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -72.06 -11.04 60.58 Favored 'General case' 0 N--CA 1.479 1.002 0 C-N-CA 124.793 1.237 . . . . 0.0 114.269 -179.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 0.5 OUTLIER -134.14 52.59 2.05 Favored 'General case' 0 CA--C 1.548 0.88 0 C-N-CA 126.811 2.044 . . . . 0.0 111.48 -178.17 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 39.1 t -79.74 112.03 16.61 Favored 'General case' 0 CA--C 1.548 0.881 0 CA-C-O 122.093 0.949 . . . . 0.0 110.935 -176.781 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . 0.404 ' HE2' ' C8 ' ' B' ' 100' ' ' ' G' . 61.1 pttt -134.05 17.78 3.79 Favored 'General case' 0 N--CA 1.482 1.167 0 C-N-CA 127.882 2.473 . . . . 0.0 112.66 -178.553 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 53.7 m-85 -109.38 170.03 8.32 Favored 'General case' 0 CA--C 1.545 0.777 0 C-N-CA 127.033 2.133 . . . . 0.0 112.642 -173.873 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 27.1 tp -84.53 135.11 34.36 Favored 'General case' 0 CA--C 1.541 0.602 0 O-C-N 120.995 -1.066 . . . . 0.0 111.925 -176.944 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.5 m170 -97.73 104.82 23.07 Favored Pre-proline 0 CA--C 1.546 0.82 0 N-CA-C 107.71 -1.219 . . . . 0.0 107.71 173.511 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 85.1 Cg_endo -81.65 150.0 16.55 Favored 'Trans proline' 0 CA--C 1.545 1.04 0 C-N-CA 122.383 2.055 . . . . 0.0 113.609 -177.464 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 99.0 Cg_endo -70.37 162.75 41.26 Favored 'Trans proline' 0 CA--C 1.543 0.941 0 C-N-CA 123.382 2.721 . . . . 0.0 110.793 174.358 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 77.7 Cg_exo -42.97 -42.65 9.33 Favored 'Trans proline' 0 CA--C 1.538 0.725 0 C-N-CA 124.536 3.491 . . . . 0.0 117.015 -177.374 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 52.4 p-80 -66.09 -48.87 69.52 Favored 'General case' 0 N--CA 1.474 0.727 0 CA-C-N 119.174 0.897 . . . . 0.0 112.954 178.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 50.4 mt -70.82 -33.84 71.1 Favored 'General case' 0 N--CA 1.473 0.688 0 O-C-N 121.423 -0.798 . . . . 0.0 111.597 176.266 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.4 ttmt -59.89 -47.05 87.32 Favored 'General case' 0 N--CA 1.474 0.743 0 C-N-CA 125.137 1.375 . . . . 0.0 110.372 175.859 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 86.9 m -63.68 -42.99 97.97 Favored 'General case' 0 N--CA 1.471 0.581 0 C-N-CA 123.356 0.663 . . . . 0.0 110.836 175.755 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 69.4 tp60 -62.62 -38.77 91.5 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 118.655 0.661 . . . . 0.0 111.222 177.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -62.98 -46.01 89.71 Favored 'General case' 0 CA--C 1.534 0.341 0 C-N-CA 123.63 0.772 . . . . 0.0 110.757 176.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 12.8 mm-40 -61.61 -37.86 85.49 Favored 'General case' 0 N--CA 1.472 0.653 0 O-C-N 121.291 -0.88 . . . . 0.0 111.789 177.713 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 93.5 mt -66.3 -45.45 89.64 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.794 0 C-N-CA 124.108 0.963 . . . . 0.0 110.235 174.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 72.3 m-20 -59.68 -40.7 88.71 Favored 'General case' 0 N--CA 1.47 0.547 0 C-N-CA 124.044 0.938 . . . . 0.0 110.314 176.405 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -60.39 -51.79 56.58 Favored Glycine 0 C--N 1.338 0.654 0 C-N-CA 125.109 1.337 . . . . 0.0 110.918 175.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -55.1 -47.17 75.33 Favored 'General case' 0 N--CA 1.478 0.974 0 CA-C-N 118.666 1.233 . . . . 0.0 111.558 176.134 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 48.6 t30 -60.46 -48.45 81.7 Favored 'General case' 0 CA--C 1.544 0.716 0 O-C-N 122.135 -0.353 . . . . 0.0 111.383 177.027 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 4.3 t30 -62.81 -35.08 78.71 Favored 'General case' 0 CA--C 1.543 0.693 0 O-C-N 121.296 -0.877 . . . . 0.0 112.345 177.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . . . . . . . . . 33.4 tp -65.33 -34.36 78.15 Favored 'General case' 0 CA--C 1.542 0.667 0 C-N-CA 126.147 1.779 . . . . 0.0 111.323 177.955 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 83.4 mt -78.85 -39.45 22.16 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.905 0 C-N-CA 123.829 0.851 . . . . 0.0 109.718 173.836 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 83.1 mm-40 -83.29 33.26 0.45 Allowed 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 126.079 1.752 . . . . 0.0 113.882 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 0.8 OUTLIER -53.08 -21.78 5.22 Favored 'General case' 0 CA--C 1.549 0.906 0 C-N-CA 126.006 1.722 . . . . 0.0 114.68 178.007 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 85.6 tttt -69.93 -13.44 62.24 Favored 'General case' 0 N--CA 1.477 0.896 0 C-N-CA 126.55 1.94 . . . . 0.0 113.672 176.249 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 5.4 p30 . . . . . 0 CA--C 1.541 0.629 0 C-N-CA 127.382 2.273 . . . . 0.0 113.887 -178.404 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.625 3.176 0 C3'-C2'-C1' 103.974 2.749 OUTLIER-DELTA 0.0 '__' . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.462 0 O4'-C1'-N19 111.266 3.066 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.62 2.707 0 N19-C1'-C2' 117.821 2.763 . 0.099 7d . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.617 2.363 0 O4'-C1'-N19 111.671 3.471 . 0.235 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.689 1 C1'-O4'-C4' 104.939 -5.179 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . 0.404 ' C8 ' ' HE2' ' A' ' 67' ' ' LYS . . . . . . . . 0 O4'--C4' 1.423 -2.525 0 O4'-C1'-N19 110.889 2.689 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.738 0 O3'-P-O5' 97.828 -3.248 . 0.164 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.439 0 O4'-C1'-N19 111.764 3.564 . 0.031 1a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.43 2 O4'-C1'-N19 115.591 7.391 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.42 -2.729 0 C5'-C4'-O4' 114.217 3.584 . 0.38 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.681 1 O4'-C1'-N19 113.904 5.704 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.615 2.191 0 O4'-C1'-N19 111.996 3.796 . 0.499 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.409 0 N19-C1'-C2' 117.385 2.491 OUTLIER-DELTA 0.0 OUTLIER '7D dist 6g' 0.0 . . . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.44 0 P-O3'-C3' 122.383 2.236 . 0.0 OUTLIER '7D dist 5d' 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.471 1 O4'-C1'-N19 113.689 5.489 . 0.67 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 64.4 mtt . . . . . 0 CA--C 1.544 0.74 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' ALA . . . . . . . . . . . . . . . -150.15 167.41 26.93 Favored 'General case' 0 CA--C 1.547 0.832 0 C-N-CA 126.034 1.734 . . . . 0.0 112.041 179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' VAL . . . . . . . . . . . . . 27.9 m -64.82 157.35 5.11 Favored 'Isoleucine or valine' 0 N--CA 1.478 0.962 0 C-N-CA 124.512 1.125 . . . . 0.0 112.923 178.682 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' SER . . . . . . . . . . . . . 7.7 t -153.14 175.98 12.42 Favored 'General case' 0 N--CA 1.474 0.725 0 C-N-CA 125.194 1.397 . . . . 0.0 111.555 179.024 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' VAL . . . . . . . . . . . . . 26.8 m -64.55 160.13 3.36 Favored 'Isoleucine or valine' 0 N--CA 1.477 0.889 0 C-N-CA 125.346 1.458 . . . . 0.0 112.96 179.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.2 m -62.43 134.87 95.11 Favored Pre-proline 0 N--CA 1.475 0.801 0 C-N-CA 124.689 1.195 . . . . 0.0 111.278 179.348 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' PRO . . . . . . . . . . . . . 22.2 Cg_endo -61.48 -55.09 1.31 Allowed 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 122.84 2.36 . . . . 0.0 113.019 -179.626 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 19.0 tt -120.23 155.3 23.32 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.778 0 C-N-CA 125.715 1.606 . . . . 0.0 112.119 176.635 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' ARG . . . . . . . . . . . . . 80.7 mtt180 -151.08 163.49 38.65 Favored 'General case' 0 N--CA 1.477 0.917 0 C-N-CA 128.69 2.796 . . . . 0.0 109.46 177.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASP . . . . . . . . . . . . . 7.0 t0 -157.17 99.84 1.82 Allowed 'General case' 0 CA--C 1.543 0.676 0 N-CA-C 112.818 0.673 . . . . 0.0 112.818 -178.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.1 p -57.07 -18.75 15.62 Favored 'General case' 0 N--CA 1.478 0.956 0 O-C-N 120.24 -1.537 . . . . 0.0 114.662 177.267 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 9.6 tppt? -65.07 -26.32 68.19 Favored 'General case' 0 N--CA 1.475 0.82 0 CA-C-N 119.737 1.153 . . . . 0.0 113.019 178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' TRP . . . . . . . . . . . . . 8.4 p-90 -80.29 -12.67 59.59 Favored 'General case' 0 CA--C 1.54 0.58 0 CA-C-N 118.695 0.68 . . . . 0.0 112.367 174.27 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' LEU . . . . . . . . . . . . . 79.9 mt -105.72 -15.79 14.86 Favored 'General case' 0 CA--C 1.544 0.724 0 C-N-CA 125.624 1.57 . . . . 0.0 113.57 178.247 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' THR . . . . . . . . . . . . . 3.6 p -79.9 151.64 30.04 Favored 'General case' 0 N--CA 1.477 0.879 0 CA-C-N 120.62 1.555 . . . . 0.0 113.709 177.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 58.1 mt -133.08 138.88 46.88 Favored 'General case' 0 N--CA 1.471 0.593 0 C-N-CA 126.891 2.076 . . . . 0.0 108.654 174.126 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLU . . . . . . . . . . . . . 49.1 mt-10 -75.5 146.47 40.54 Favored 'General case' 0 N--CA 1.47 0.554 0 N-CA-C 113.52 0.933 . . . . 0.0 113.52 -177.68 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' VAL . . . . . . . . . . . . . 89.8 t -90.41 140.03 16.6 Favored 'Isoleucine or valine' 0 N--CA 1.469 0.494 0 C-N-CA 126.219 1.807 . . . . 0.0 109.807 177.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 49.7 t -59.16 134.5 57.05 Favored 'General case' 0 CA--C 1.544 0.727 0 C-N-CA 124.223 1.009 . . . . 0.0 112.419 -179.747 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 14.6 mmm180 -68.52 -42.06 79.04 Favored 'General case' 0 N--CA 1.474 0.749 0 C-N-CA 123.888 0.875 . . . . 0.0 111.567 179.498 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' GLU . . . . . . . . . . . . . 14.2 mm-40 -68.79 -28.06 66.44 Favored 'General case' 0 CA--C 1.542 0.652 0 C-N-CA 123.182 0.593 . . . . 0.0 111.502 176.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' PHE . . . . . . . . . . . . . 86.4 t80 -68.7 -44.64 73.52 Favored 'General case' 0 N--CA 1.468 0.437 0 O-C-N 120.755 -1.216 . . . . 0.0 110.556 175.152 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' GLN . . . . . . . . . . . . . 38.9 mt-30 -64.64 -35.26 80.45 Favored 'General case' 0 CA--C 1.543 0.705 0 C-N-CA 124.152 0.981 . . . . 0.0 111.295 175.646 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ARG . . . . . . . . . . . . . 74.8 ttt180 -73.05 -20.36 60.99 Favored 'General case' 0 N--CA 1.476 0.87 0 C-N-CA 126.094 1.758 . . . . 0.0 112.915 175.655 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLY . . . . . . . . . . . . . . . 79.99 33.05 34.2 Favored Glycine 0 CA--C 1.537 1.431 0 C-N-CA 125.396 1.474 . . . . 0.0 113.736 -178.657 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' THR . . . . . . . . . . . . . 62.6 p -128.16 -11.63 5.24 Favored 'General case' 0 N--CA 1.479 0.993 0 N-CA-C 115.543 1.683 . . . . 0.0 115.543 -176.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' CYS . . . . . . . . . . . . . 7.8 t -61.9 148.7 42.69 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.876 1.216 . . . . 0.0 112.415 179.158 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 50.7 p -140.0 59.82 1.57 Allowed 'General case' 0 N--CA 1.474 0.732 0 C-N-CA 124.804 1.242 . . . . 0.0 113.512 -179.573 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 75.6 mtt180 -152.89 150.12 23.58 Favored Pre-proline 0 N--CA 1.477 0.915 0 C-N-CA 126.859 2.064 . . . . 0.0 110.764 175.731 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' PRO . . . . . . . . . . . . . 88.5 Cg_endo -73.08 158.75 48.92 Favored 'Trans proline' 0 CA--C 1.54 0.786 0 C-N-CA 122.159 1.906 . . . . 0.0 109.594 173.624 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -50.75 -33.5 23.38 Favored 'General case' 0 N--CA 1.477 0.902 0 C-N-CA 124.237 1.015 . . . . 0.0 112.587 176.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' THR . . . . . . . . . . . . . 3.0 m -64.41 -25.84 68.19 Favored 'General case' 0 N--CA 1.469 0.52 0 C-N-CA 127.385 2.274 . . . . 0.0 114.745 178.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' GLU . . . . . . . . . . . . . 47.2 mt-10 -120.04 -14.76 8.85 Favored 'General case' 0 N--CA 1.477 0.9 0 N-CA-C 114.925 1.454 . . . . 0.0 114.925 -175.502 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' CYS . . . . . . . . . . . . . 5.6 t -75.89 157.68 32.98 Favored 'General case' 0 CA--C 1.55 0.947 0 CA-C-N 119.036 0.834 . . . . 0.0 111.476 177.098 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' LYS . . . . . . . . . . . . . 19.5 ptpt -73.64 -9.52 58.75 Favored 'General case' 0 N--CA 1.479 1.006 0 C-N-CA 125.219 1.408 . . . . 0.0 114.685 -179.702 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' PHE . . . . . . . . . . . . . 35.3 m-85 -141.36 -179.9 6.4 Favored 'General case' 0 CA--C 1.546 0.82 0 C-N-CA 126.805 2.042 . . . . 0.0 111.225 -179.24 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' ALA . . . . . . . . . . . . . . . -89.78 147.83 23.58 Favored 'General case' 0 CA--C 1.545 0.758 0 N-CA-C 113.822 1.045 . . . . 0.0 113.822 -175.532 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 48.7 m170 -120.24 71.6 17.47 Favored Pre-proline 0 CA--C 1.553 1.093 0 C-N-CA 127.225 2.21 . . . . 0.0 111.186 178.319 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' PRO . . . . . . . . . . . . . 87.9 Cg_endo -70.69 165.11 33.1 Favored 'Trans proline' 0 CA--C 1.537 0.672 0 C-N-CA 124.023 3.149 . . . . 0.0 113.844 -178.692 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' SER . . . . . . . . . . . . . 6.2 t -105.45 177.36 4.87 Favored 'General case' 0 N--CA 1.473 0.698 0 C-N-CA 124.77 1.228 . . . . 0.0 111.62 177.077 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' LYS . . . . . . . . . . . . . 61.1 mtpt -60.12 -27.31 66.94 Favored 'General case' 0 N--CA 1.479 1.007 0 C-N-CA 125.214 1.406 . . . . 0.0 113.468 178.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' SER . . . . . . . . . . . . . 25.5 m -80.16 -16.49 54.76 Favored 'General case' 0 N--CA 1.471 0.613 0 C-N-CA 125.399 1.48 . . . . 0.0 114.141 179.344 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' CYS . . . . . . . . . . . . . 69.7 m -78.87 150.44 32.21 Favored 'General case' 0 CA--C 1.542 0.664 0 CA-C-N 119.201 0.909 . . . . 0.0 112.111 -179.648 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' GLN . . . . . . . . . . . . . 14.3 mm-40 -79.72 62.74 4.08 Favored 'General case' 0 CA--C 1.545 0.757 0 C-N-CA 124.082 0.953 . . . . 0.0 111.405 175.87 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 12.7 t -72.73 129.26 35.94 Favored 'Isoleucine or valine' 0 N--CA 1.474 0.77 0 C-N-CA 125.229 1.412 . . . . 0.0 109.598 178.658 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLU . . . . . . . . . . . . . 46.0 mt-10 -144.38 129.7 18.8 Favored 'General case' 0 N--CA 1.472 0.662 0 C-N-CA 125.334 1.453 . . . . 0.0 111.634 -177.685 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASN . . . . . . . . . . . . . 66.3 t30 42.43 40.46 1.88 Allowed 'General case' 0 CA--C 1.554 1.133 0 C-N-CA 125.907 1.683 . . . . 0.0 115.253 178.006 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLY . . . . . . . . . . . . . . . 79.42 16.26 78.36 Favored Glycine 0 CA--C 1.537 1.412 0 O-C-N 121.092 -1.005 . . . . 0.0 115.285 -179.518 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ARG . . . . . . . . . . . . . 10.0 mpt_? -133.35 166.06 23.38 Favored 'General case' 0 N--CA 1.476 0.842 0 C-N-CA 126.9 2.08 . . . . 0.0 110.48 179.262 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' VAL . . . . . . . . . . . . . 2.6 t -140.6 138.46 35.73 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.816 0 N-CA-C 107.711 -1.218 . . . . 0.0 107.711 173.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' ILE . . . . . . . . . . . . . 17.4 mt -75.83 126.68 36.82 Favored 'Isoleucine or valine' 0 CA--C 1.539 0.534 0 N-CA-C 107.108 -1.441 . . . . 0.0 107.108 174.863 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ALA . . . . . . . . . . . . . . . -79.79 151.33 30.37 Favored 'General case' 0 CA--C 1.545 0.764 0 C-N-CA 123.561 0.745 . . . . 0.0 112.166 179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' CYS . . . . . . . . . . . . . 46.1 t -75.77 112.26 11.97 Favored 'General case' 0 CA--C 1.543 0.708 0 C-N-CA 125.081 1.352 . . . . 0.0 110.523 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -57.73 -44.37 85.98 Favored 'General case' 0 N--CA 1.472 0.642 0 O-C-N 121.394 -0.816 . . . . 0.0 110.99 179.669 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 71.3 m-20 -62.7 -39.72 94.9 Favored 'General case' 0 CA--C 1.547 0.857 0 O-C-N 121.888 -0.508 . . . . 0.0 111.968 177.901 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.9 t -69.11 -38.47 78.92 Favored 'General case' 0 N--CA 1.472 0.636 0 O-C-N 120.964 -1.085 . . . . 0.0 111.747 174.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 59.0 mt -60.79 -33.02 72.35 Favored 'General case' 0 N--CA 1.472 0.674 0 C-N-CA 124.317 1.047 . . . . 0.0 110.9 174.446 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -75.36 -6.89 52.25 Favored 'General case' 0 N--CA 1.477 0.899 0 C-N-CA 125.595 1.558 . . . . 0.0 112.543 174.249 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' GLY . . . . . . . . . . . . . . . 90.12 8.79 66.31 Favored Glycine 0 CA--C 1.531 1.055 0 C-N-CA 126.976 2.227 . . . . 0.0 116.267 178.353 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 23.1 tpp180 -155.89 92.88 1.4 Allowed 'General case' 0 N--CA 1.471 0.596 0 CA-C-N 118.925 1.363 . . . . 0.0 111.591 177.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' CYS . . . . . . . . . . . . . 27.3 t -55.1 142.43 30.72 Favored 'General case' 0 CA--C 1.55 0.966 0 C-N-CA 124.133 0.973 . . . . 0.0 110.268 176.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' SER . . . . . . . . . . . . . 19.7 m -112.17 20.0 17.23 Favored 'General case' 0 N--CA 1.478 0.942 0 C-N-CA 124.923 1.289 . . . . 0.0 114.213 -175.619 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 64.6 mtm-85 -130.13 166.98 19.08 Favored 'General case' 0 N--CA 1.475 0.817 0 C-N-CA 125.188 1.395 . . . . 0.0 114.472 -177.986 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -129.17 6.77 5.4 Favored 'General case' 0 CA--C 1.55 0.98 0 C-N-CA 127.58 2.352 . . . . 0.0 111.615 174.614 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASN . . . . . . . . . . . . . 49.7 t30 -143.19 42.59 1.53 Allowed 'General case' 0 CA--C 1.552 1.03 0 C-N-CA 129.72 3.208 . . . . 0.0 109.246 -178.252 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 4.8 t -79.76 142.7 35.16 Favored 'General case' 0 CA--C 1.546 0.821 0 C-N-CA 124.051 0.94 . . . . 0.0 111.466 -174.604 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -134.04 6.33 3.64 Favored 'General case' 0 N--CA 1.48 1.072 0 C-N-CA 127.109 2.163 . . . . 0.0 114.959 -175.44 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' TYR . . . . . . . . . . . . . 19.7 m-85 -97.26 166.98 11.3 Favored 'General case' 0 CA--C 1.545 0.786 0 C-N-CA 125.449 1.5 . . . . 0.0 109.173 176.22 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 43.4 tp -84.63 135.07 34.33 Favored 'General case' 0 CA--C 1.54 0.568 0 O-C-N 120.56 -1.338 . . . . 0.0 111.789 -177.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' HIS . . . . . . . . . . . . . 24.1 m170 -102.22 104.69 38.48 Favored Pre-proline 0 CA--C 1.547 0.842 0 N-CA-C 107.483 -1.302 . . . . 0.0 107.483 174.399 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' PRO . . . . . . . . . . . . . 76.3 Cg_endo -87.1 151.18 8.21 Favored 'Trans proline' 0 CA--C 1.546 1.088 0 C-N-CA 122.793 2.329 . . . . 0.0 114.966 -175.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' PRO . . . . . . . . . . . . . 93.8 Cg_endo -71.58 164.23 36.4 Favored 'Trans proline' 0 CA--C 1.545 1.041 0 C-N-CA 124.083 3.188 . . . . 0.0 110.613 173.852 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 94.8 Cg_exo -43.2 -41.65 9.81 Favored 'Trans proline' 0 CA--C 1.539 0.742 0 C-N-CA 124.498 3.466 . . . . 0.0 117.023 -178.519 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' HIS . . . . . . . . . . . . . 45.8 p-80 -68.14 -54.22 19.58 Favored 'General case' 0 N--CA 1.474 0.74 0 CA-C-N 119.57 1.077 . . . . 0.0 112.102 178.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' LEU . . . . . . . . . . . . . 52.2 mt -61.87 -34.02 75.25 Favored 'General case' 0 N--CA 1.476 0.838 0 CA-C-N 119.2 0.909 . . . . 0.0 111.651 176.451 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' LYS . . . . . . . . . . . . . 37.7 ttmt -60.96 -42.28 97.98 Favored 'General case' 0 N--CA 1.474 0.756 0 C-N-CA 124.575 1.15 . . . . 0.0 110.399 173.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' THR . . . . . . . . . . . . . 85.3 m -64.36 -42.88 95.99 Favored 'General case' 0 N--CA 1.475 0.784 0 C-N-CA 123.526 0.73 . . . . 0.0 110.751 174.672 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' GLN . . . . . . . . . . . . . 2.1 mp0 -60.93 -39.13 88.23 Favored 'General case' 0 N--CA 1.473 0.696 0 O-C-N 121.393 -0.817 . . . . 0.0 110.931 175.295 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -63.89 -46.01 86.81 Favored 'General case' 0 CA--C 1.538 0.495 0 C-N-CA 124.164 0.985 . . . . 0.0 110.739 176.79 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -58.44 -44.2 89.09 Favored 'General case' 0 N--CA 1.472 0.637 0 O-C-N 121.328 -0.858 . . . . 0.0 111.104 176.147 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ILE . . . . . . . . . . . . . 89.1 mt -61.31 -43.99 97.59 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.807 0 C-N-CA 123.798 0.839 . . . . 0.0 110.598 176.052 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 t30 -60.5 -38.7 85.17 Favored 'General case' 0 CA--C 1.548 0.902 0 C-N-CA 124.633 1.173 . . . . 0.0 111.046 176.343 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' GLY . . . . . . . . . . . . . . . -67.67 -52.85 27.24 Favored Glycine 0 CA--C 1.529 0.959 0 C-N-CA 124.769 1.176 . . . . 0.0 113.033 176.447 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' ARG . . . . . . . . . . . . . 8.3 mmp_? -64.77 -25.54 67.97 Favored 'General case' 0 N--CA 1.479 0.983 0 N-CA-C 114.286 1.217 . . . . 0.0 114.286 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' ASN . . . . . . . . . . . . . 1.9 m-80 -54.74 -33.26 60.94 Favored 'General case' 0 CA--C 1.547 0.828 0 CA-C-N 118.91 0.777 . . . . 0.0 112.105 174.223 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' ASN . . . . . . . . . . . . . 78.7 m-20 -80.77 -33.27 35.08 Favored 'General case' 0 CA--C 1.545 0.751 0 C-N-CA 123.869 0.867 . . . . 0.0 112.438 176.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.467 HD11 " H2'" ' B' ' 103' ' ' ' U' . 3.7 mm? -64.52 -37.87 89.06 Favored 'General case' 0 N--CA 1.477 0.892 0 CA-C-N 119.401 1.0 . . . . 0.0 110.309 175.561 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' ILE . . . . . . . . . . . . . 96.5 mt -64.28 -39.29 84.99 Favored 'Isoleucine or valine' 0 N--CA 1.475 0.812 0 C-N-CA 124.685 1.194 . . . . 0.0 111.06 178.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLN . . . . . . . . . . . . . 36.1 tt0 -160.44 116.09 2.31 Favored 'General case' 0 CA--C 1.541 0.614 0 C-N-CA 125.317 1.447 . . . . 0.0 109.942 179.186 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' GLN . . . . . . . . . . . . . 43.9 tt0 -59.59 -33.69 71.79 Favored 'General case' 0 N--CA 1.477 0.882 0 N-CA-C 113.429 0.9 . . . . 0.0 113.429 -179.434 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LYS . . . . . . . . . . . . . 57.2 tptt -69.93 -18.22 63.36 Favored 'General case' 0 N--CA 1.479 1.004 0 C-N-CA 126.029 1.731 . . . . 0.0 114.281 178.871 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ASN . . . . . . . . . . . . . 58.8 t-20 . . . . . 0 CA--C 1.545 0.759 0 C-N-CA 125.913 1.685 . . . . 0.0 113.63 -178.952 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 95' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.626 3.311 0 O4'-C1'-N19 111.383 3.183 . 0.0 '__' . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 96' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.425 -2.304 0 O4'-C1'-N19 111.601 3.401 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 97' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.428 -2.099 1 O4'-C1'-N19 112.287 4.087 . 0.261 2a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 98' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.616 1 O4'-C1'-N19 112.731 4.531 . 0.486 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 99' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.422 -2.579 0 O3'-P-O5' 99.22 -2.516 . 0.065 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 100' ' ' ' G' . . . . . . . . . . . . . . . . . . . . 0 P--O5' 1.623 3.013 0 C5'-C4'-C3' 111.297 -2.802 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 101' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.426 -2.29 0 O4'-C1'-N19 111.697 3.497 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 102' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.703 2 O4'-C1'-N19 112.913 4.713 . 0.028 1a . 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 103' ' ' ' U' . . . . . 0.467 " H2'" HD11 ' A' ' 87' ' ' LEU . . . . . . . . 0 C5'--C4' 1.537 2.073 1 P-O3'-C3' 125.329 4.691 . 0.0 OUTLIER . 0.0 . . . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' B' B ' 104' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.835 0 C4'-C3'-C2' 99.748 -2.952 . 0.091 &a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 105' ' ' ' U' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.424 -2.377 0 O4'-C1'-N19 111.133 2.933 . 0.285 1b . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 106' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.504 0 C4'-C3'-C2' 100.185 -2.515 . 0.481 8d . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' B' B ' 107' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.419 -2.828 0 O4'-C1'-C2' 101.662 -3.384 OUTLIER-DELTA 0.0 OUTLIER delta 0.0 . . . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' B' B ' 108' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.423 -2.507 0 O4'-C4'-C3' 108.961 2.472 . 0.0 OUTLIER delta-1 0.0 . . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' B' B ' 109' ' ' ' C' . . . . . . . . . . . . . . . . . . . . 0 O4'--C4' 1.421 -2.698 0 O3'-P-O5' 99.844 -2.187 . 0.343 2a . 0.0 . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_