data_2yuc_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 2yuc _Structure_validation_residue.Date_analyzed 2016-10-08 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 32' ' ' LEU . 30.6 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.89 44.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.7 t -81.81 135.36 48.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -20.53 34.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 4.7 m-20 -68.5 -10.75 57.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.3 20.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -96.62 144.01 27.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 64.3 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.57 125.52 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.413 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 16.4 mttp -114.65 143.55 44.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -120.97 -70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 165.63 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 27.88 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CZ ' ' OD2' ' A' ' 31' ' ' ASP . 16.9 ptt-85 -142.8 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.464 ' OD2' ' CZ ' ' A' ' 30' ' ' ARG . 48.9 m-20 -88.72 8.69 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.653 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.08 -50.13 70.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.7 -8.31 23.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.54 6.51 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.0 t60 -109.8 -39.9 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.4 mt -78.14 -4.33 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -84.45 -62.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.68 28.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.61 9.81 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 48.7 t -107.47 133.14 20.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.6 mmtt -87.26 24.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.503 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.95 -21.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 25.3 mtp180 76.68 58.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.503 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 8.3 mt -143.97 104.03 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 4.7 tttp -112.73 142.13 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.9 152.54 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.1 -7.25 56.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.03 -74.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 20.4 p -70.56 -19.98 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 53.13 65.19 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' ASP . 73.1 m -142.02 115.91 9.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.4 m-20 -36.32 140.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 16.0 m-85 -149.02 173.99 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.467 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -93.7 -172.11 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -81.82 -27.63 45.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -79.78 -21.15 44.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.51 -54.43 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.62 -23.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.9 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 p -80.97 -0.16 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 19.2 t60 -94.93 -11.79 27.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.95 -27.36 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.14 -23.04 6.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -112.91 67.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.68 137.5 21.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -32.34 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 3.1 mp0 -121.95 65.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 pt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.08 66.46 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.0 t -70.32 134.69 86.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.69 27.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.416 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 26.7 m-20 -62.23 -8.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' C ' ' A' ' 21' ' ' ASN . 6.8 mtp85 76.73 32.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 1.6 p -107.05 143.32 26.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 64.45 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 mmm -156.15 128.63 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 17.1 mtpt -116.78 142.54 46.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.8 -70.29 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 162.49 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -94.82 28.63 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -142.1 -43.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.93 10.25 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.68 -49.98 67.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.8 -8.19 22.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 5.87 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.1 t60 -109.05 -43.89 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.7 mt -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' GLY . 7.2 tt0 -80.49 -71.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.89 26.94 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.73 8.91 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 43.1 t -113.61 136.69 22.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.81 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 23' ' ' CYS . 1.7 mptt -96.28 27.95 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' LYS . 17.4 ptt-85 -34.55 -35.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 42' ' ' LYS . 46.7 mtt180 57.34 44.42 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.98 111.78 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.2 158.26 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.29 127.17 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.31 17.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -120.83 -55.28 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.3 p -101.95 -20.48 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.26 50.28 6.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 8.4 m -123.42 149.22 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.12 138.14 31.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 52' ' ' CYS . 74.4 m-85 -148.99 177.38 9.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 35.2 m -106.83 179.34 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -73.86 -22.61 77.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -86.88 -27.13 23.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.72 -51.58 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.0 t80 -44.13 -29.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.93 -52.62 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.8 t -72.07 -16.69 62.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.435 ' CE1' ' HD2' ' A' ' 67' ' ' PRO . 38.0 t60 -82.36 -22.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -77.86 131.02 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.33 -39.09 3.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 ttp -105.22 -75.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 t 60.2 138.71 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 53.3 Cg_endo -69.81 -35.32 12.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 10.8 mp0 -124.69 75.66 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.423 ' CD1' HD21 ' A' ' 32' ' ' LEU . 4.7 pt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.627 0.727 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.19 69.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.0 t -75.99 135.3 70.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -19.84 35.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 3.7 m-20 -69.85 -11.56 60.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.89 21.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -97.0 143.11 25.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 64.43 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.391 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.407 ' HE1' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -155.84 120.49 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -112.63 123.52 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.432 HD21 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -100.72 -70.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 169.01 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 28' ' ' SER . 27.8 ttp180 -91.1 27.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -142.41 -40.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.85 7.65 33.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.661 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.54 -49.23 71.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.946 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.8 -6.89 19.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.36 9.82 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.2 t60 -111.41 -37.69 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.7 mt -79.38 -5.97 55.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.32 -63.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.39 28.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -133.13 9.41 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.7 t -111.98 135.07 21.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.03 19.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -102.65 18.27 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -34.58 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' LYS . 21.1 mtp85 62.99 49.35 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 mt -118.19 119.06 33.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -135.84 147.04 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.3 131.45 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -82.43 17.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -124.32 -66.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.0 -21.86 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.14 54.82 6.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -128.04 123.21 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.37 141.89 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -148.67 165.66 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -92.19 177.99 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -77.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.21 -31.49 67.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -63.38 -59.17 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -41.28 -43.13 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.29 -39.25 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' ALA . 3.2 m -75.89 -22.33 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.55 -37.04 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -57.82 108.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.78 -38.08 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.9 mtp -107.65 24.2 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.07 138.07 97.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.97 15.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -125.26 79.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 28' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.86 68.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.6 t -71.66 135.27 83.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.42 36.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 6.3 m-20 -69.95 -10.7 59.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.94 21.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.66 142.12 24.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 64.35 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.415 ' HE2' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.34 127.63 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.466 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 11.5 mttp -112.0 140.95 46.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -124.5 -70.33 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.1 t 159.33 175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 28' ' ' SER . 13.7 mmt180 -79.84 12.67 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -120.33 -46.92 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -91.48 11.13 25.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.661 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.4 tp -63.89 -49.99 72.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.84 -23.67 30.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.45 6.51 48.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' HD21 ' A' ' 27' ' ' LEU . 52.7 t60 -104.45 -43.22 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.493 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.1 mt -74.09 -6.57 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.9 tp60 -79.73 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -139.83 20.46 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -124.35 10.12 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.4 t -113.92 134.76 22.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 11.7 mmtt -110.17 28.87 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -36.25 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 62.0 50.25 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.87 103.98 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HG3' ' C ' ' A' ' 52' ' ' CYS . 6.6 ttpm? -111.56 154.96 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.13 157.31 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -29.14 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' CG ' ' A' ' 69' ' ' GLU . 5.2 m-30 -74.36 -62.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.6 p -87.4 -46.99 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.02 54.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.536 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 46' ' ' LYS . 6.7 m -133.21 135.25 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -47.72 142.22 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 22.5 m-85 -148.9 171.69 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.5 m -91.71 -179.77 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -66.21 -77.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 6.6 pt-20 -54.38 -36.03 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 57' ' ' GLU . . . -63.25 -60.33 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 2.1 t80 -40.24 -40.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -51.02 71.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -70.23 -20.67 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 66.4 t60 -83.31 -18.02 40.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.73 -28.42 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.29 -21.11 13.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.3 mmm -122.63 84.69 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 41.3 t -113.82 136.55 22.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.0 mm-40 -125.69 84.62 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.565 ' CG ' ' CE2' ' A' ' 49' ' ' PHE . 7.4 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.414 ' CG1' ' O ' ' A' ' 28' ' ' SER . 18.7 pt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.08 35.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.439 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 11.5 t -80.3 134.15 55.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.423 ' CG ' HD12 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.78 -25.4 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 22.7 m-20 -62.9 -11.49 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER 84.33 23.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.34 141.61 23.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 64.46 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.14 124.8 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.2 mttt -114.36 143.82 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -121.22 -70.51 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.3 OUTLIER 171.16 -167.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -95.26 23.33 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -141.98 -39.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -88.39 8.33 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -63.9 -50.1 71.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.93 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.72 -26.65 27.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.29 -7.5 58.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 51.3 t60 -99.51 -34.21 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 32' ' ' LEU . 29.1 mt -80.8 -6.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.86 -61.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.23 33.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -138.58 11.85 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 51.7 t -110.24 134.91 20.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.6 mmmt -88.84 27.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' NH2' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.57 -19.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 13.6 mmm180 77.36 56.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.52 ' CD2' ' NH2' ' A' ' 43' ' ' ARG . 2.1 mp -143.28 104.09 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -119.16 149.2 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.73 134.3 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.54 21.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.24 -65.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.1 p -87.29 -17.59 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.37 57.93 11.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 87.2 m -143.23 120.23 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.43 153.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 38.2 m-85 -149.0 -177.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -102.96 -173.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.11 -64.89 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.22 -15.87 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -97.81 -65.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 45' ' ' LEU . 8.3 t80 -41.29 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 2.1 tt0 -81.04 -43.64 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ALA . 93.7 p -85.25 -8.03 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -91.22 -18.71 23.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 2.3 pt-20 -78.31 46.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.37 -36.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 mtp -118.92 37.22 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.08 137.56 47.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.69 17.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -125.38 60.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.48 53.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.2 t -74.57 135.45 75.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -20.98 33.95 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 16.0 m-20 -70.61 -4.61 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER 74.73 36.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 146.0 34.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 64.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mmm -159.76 129.37 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 7.7 mttm -115.67 145.24 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -127.43 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 158.25 177.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . 6.0 mmm-85 -82.68 20.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -124.95 -48.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.59 7.15 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -57.49 -49.9 91.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.78 -21.6 33.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.44 8.58 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.2 t60 -108.13 -44.17 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -73.77 -3.97 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.0 tt0 -83.13 -71.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.14 21.15 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -126.61 10.51 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 40.3 t -114.86 135.51 22.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.87 11.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ARG . 13.0 mmtt -106.09 33.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.06 -28.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' LYS . 6.8 mmm180 62.28 46.71 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.41 103.92 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 148.37 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.5 t -88.66 113.99 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.12 0.36 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 4.3 m-85 -96.53 -52.38 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.1 p -106.02 -28.0 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 84.07 39.89 9.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 89.9 m -125.16 119.62 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.47 145.98 4.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.681 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 51.6 m-85 -147.71 171.37 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.98 177.59 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -69.76 -37.31 75.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -82.92 -32.08 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -48.57 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -49.24 -44.56 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -49.05 -53.56 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -73.7 -26.86 60.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.681 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 72.2 t60 -66.44 -20.32 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.25 130.79 43.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.43 -33.21 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' CYS . 11.0 ptm -94.13 -9.05 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' MET . 18.5 t -35.1 138.34 0.37 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.39 12.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 20.2 mt-30 -123.13 60.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.2 pt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.655 0.741 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.43 30.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 t -52.05 134.49 39.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.78 -18.34 36.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.407 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 m-20 -73.71 -7.15 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' C ' ' A' ' 21' ' ' ASN . 3.0 mtp85 77.02 36.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.02 145.28 31.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 64.97 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtp -158.89 116.63 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -106.27 124.92 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -108.34 -70.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 159.8 176.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 52.6 mtp180 -80.03 13.57 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -120.24 -47.93 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -94.56 16.81 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.0 tp -65.97 -50.03 54.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.77 -35.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.91 -0.25 30.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 45.3 t60 -100.73 -40.12 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -76.4 -6.46 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -79.88 -68.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.35 24.83 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -130.11 9.84 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.6 t -113.12 134.49 21.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -31.44 20.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -109.64 31.51 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -42.33 -24.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 21.8 mtm180 70.16 50.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -133.79 105.8 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -115.42 149.03 38.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 42.7 t -79.3 131.32 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 14.4 pt-20 -83.54 19.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 28.1 m-85 -124.86 -63.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.3 p -89.4 -8.4 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.04 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.9 m -143.08 130.53 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 150.04 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.784 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 23.5 m-85 -148.14 168.32 22.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.98 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.52 -80.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.17 -29.56 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -56.0 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -40.58 -32.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -58.0 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 p -66.93 -12.07 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.784 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 29.9 t60 -93.19 -7.4 45.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.18 30.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.59 -37.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -109.5 -70.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.7 t 60.35 138.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.11 13.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.7 mp0 -123.51 83.45 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 29' ' ' ARG . 2.2 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.6 0.714 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.54 57.46 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 51.5 t -65.1 135.6 96.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.44 27.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 8.2 m-20 -63.89 -8.04 9.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp180 77.1 37.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -112.83 144.32 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 64.66 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.465 ' HE3' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -157.59 119.56 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' HD11 ' A' ' 27' ' ' LEU . 11.0 mttm -107.66 128.66 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -110.09 -70.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 t 159.73 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 75.7 mtm180 -81.63 16.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -123.24 -47.19 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -94.3 13.8 22.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -64.88 -50.0 65.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.78 -23.09 31.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.6 7.4 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 55.4 t60 -105.55 -41.22 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt -77.3 -6.36 52.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -78.91 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.65 22.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -126.76 10.99 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.8 t -112.64 135.1 21.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.72 16.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 3.7 mmmt -105.27 30.85 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -46.61 -31.1 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 18.2 mtm180 75.46 46.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 mt -137.87 104.49 5.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 159.3 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.57 157.03 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -99.29 -29.91 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 11.1 m-30 -74.53 -71.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.2 p -80.26 -44.06 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.26 58.72 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 73.9 m -123.75 128.05 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.75 131.3 9.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 37.7 m-85 -145.43 173.48 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -93.21 -177.19 4.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.78 -27.85 40.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -91.21 -21.47 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -91.66 -52.45 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t80 -37.17 -44.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.36 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' ALA . 15.1 m -77.74 -15.1 59.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 79.1 t60 -83.71 -37.93 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.87 -19.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 -27.43 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.16 46.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.67 135.02 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.72 37.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -142.63 93.68 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 pt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.65 0.738 . . . . 0.0 111.115 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.28 67.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 50.0 t -74.46 135.52 75.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.402 ' CG ' HD13 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.73 -21.34 33.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 4.5 m-20 -67.94 -11.12 58.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.06 21.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -98.77 142.75 25.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.657 0.741 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.38 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mmm -157.59 127.95 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 12.1 mttm -117.16 145.67 43.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.4 -70.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.41 -160.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -103.97 27.51 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -142.74 -39.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.88 7.2 35.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -63.11 -49.06 82.56 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.97 15.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 78.7 t60 -95.15 -44.51 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.2 mt -76.16 -8.24 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -78.38 -61.06 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.409 ' ND1' ' HG3' ' A' ' 57' ' ' GLU . 4.3 p80 -151.8 24.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -129.59 14.34 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' HIS . 50.3 t -111.04 132.62 21.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' A' ' 23' ' ' CYS . 5.9 mmtp -87.03 19.89 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -47.0 -21.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 62.58 53.99 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.4 HD12 ' NH1' ' A' ' 43' ' ' ARG . 3.3 mt -144.17 103.88 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 159.43 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.3 t -55.58 139.72 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.67 19.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 2.2 m-85 -128.76 -69.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.7 p -84.58 5.04 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.03 61.15 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ASP . 95.8 m -129.72 118.35 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.1 p30 -34.93 137.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -148.72 -176.24 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -104.99 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.93 -84.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG3' ' ND1' ' A' ' 38' ' ' HIS . 2.6 mt-10 -46.3 -44.15 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.34 -57.33 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.2 t80 -44.22 -34.2 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.41 -58.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -61.88 -19.56 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -76.15 -22.0 55.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.45 -14.8 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -27.73 5.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.38 74.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.6 137.18 19.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.45 7.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -125.25 73.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' CD1' ' A' ' 49' ' ' PHE . 10.5 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.446 ' CD1' HD22 ' A' ' 32' ' ' LEU . 19.7 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.684 0.754 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.47 49.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 47.9 t -81.27 135.09 50.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.55 37.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 36' ' ' LEU . 4.0 m-20 -74.19 -7.66 53.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.3 ptp180 81.07 18.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -92.24 139.75 24.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 64.35 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.385 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 mmm -154.44 136.29 14.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.496 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 24.3 mttm -119.27 136.56 54.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -120.82 -71.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER 158.38 175.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.456 ' N ' ' OG ' ' A' ' 28' ' ' SER . 13.3 mtp85 -78.78 10.51 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -118.72 -46.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.63 10.61 22.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.4 tp -65.15 -49.81 64.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 -27.28 26.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.285 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.47 -23.36 27.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HD23 ' A' ' 27' ' ' LEU . 38.6 t60 -81.6 -36.1 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 21' ' ' ASN . 56.2 mt -80.2 6.69 11.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 56' ' ' GLY . 20.2 tt0 -94.98 -58.67 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -149.63 29.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -124.75 -22.53 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.529 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 35.3 t -74.29 129.5 84.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.9 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.7 mmtm -82.0 17.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -38.39 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 36.4 mtp85 46.66 56.62 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.59 115.93 22.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.21 144.82 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.9 t -66.63 135.89 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 2.5 pt-20 -81.41 15.02 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.507 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 73.3 m-85 -126.92 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 31.8 p -92.25 9.14 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' CYS . . . 37.37 60.48 1.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.5 m -132.33 142.44 49.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.82 139.93 57.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 33.5 m-85 -148.96 177.28 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.42 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -75.11 -65.31 2.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.02 -28.9 69.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.91 -55.17 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.8 t80 -45.55 -40.21 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.17 -53.67 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -68.86 -23.2 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 t60 -72.59 -22.46 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.76 -30.01 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.59 -21.14 22.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 ptp -124.75 111.14 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.0 t -139.45 137.0 18.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -34.94 13.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.74 67.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' HD23 ' A' ' 32' ' ' LEU . 32.3 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.54 65.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.52 135.03 86.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -19.53 35.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 4.6 m-20 -69.03 -10.85 59.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.86 22.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.12 140.88 22.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 64.42 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtp -155.31 117.05 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.51 121.92 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -105.09 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.6 t 160.04 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 28' ' ' SER . 17.9 mmt180 -80.8 15.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -122.25 -47.81 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -88.66 5.18 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.644 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -60.27 -50.41 86.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.8 -22.37 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.58 24.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CD2' HD22 ' A' ' 27' ' ' LEU . 21.0 t60 -86.74 -38.66 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.82 6.51 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.2 tp60 -96.35 -48.7 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -156.0 32.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.446 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 2.6 t0 -128.93 -29.23 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 11.2 t -66.95 128.61 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.5 26.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.635 2.223 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 21.2 mttp -109.11 26.26 10.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LYS . 7.9 ptt-85 -37.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' LYS . 32.1 mtp85 61.83 52.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 15.2 mt -124.34 104.44 8.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 3.1 tmmm? -129.98 151.7 50.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 42.0 t -90.27 134.33 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.94 20.21 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -123.83 -75.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p -75.04 -26.41 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.97 56.62 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 57.2 m -140.45 129.89 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.84 153.82 23.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 60.3 m-85 -148.69 -175.96 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 155.32 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' LEU . . . -43.82 -32.15 2.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -87.89 -39.36 14.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -68.53 -58.13 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' ALA . 54.8 t80 -36.29 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -74.01 -46.76 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t -73.21 -15.03 61.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 14.7 t60 -84.62 -54.36 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.57 139.48 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.44 -17.35 40.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ttt -126.07 -72.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.346 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.94 134.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 -31.45 20.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' GLU . 36.1 mm-40 -122.41 -13.39 8.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLN . 9.8 tp10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 HD12 ' CG ' ' A' ' 29' ' ' ARG . 4.9 pt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 153.88 68.13 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.44 135.6 84.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.59 33.11 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 2.7 m-20 -67.3 -11.59 57.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 84.33 22.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.73 142.82 25.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 64.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.282 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmm -157.24 127.08 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -113.93 142.39 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -122.85 -69.93 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 163.06 174.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' OG ' ' A' ' 28' ' ' SER . 42.8 mtm180 -78.69 10.62 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -119.55 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.51 9.97 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.652 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -63.22 -50.5 74.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.79 -20.19 35.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.17 6.56 48.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 74.6 t60 -106.02 -40.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.86 -3.85 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 45.1 tt0 -84.58 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -147.29 27.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.07 7.57 4.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.4 t -105.23 130.76 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 33.6 mmtt -83.37 23.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.52 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -52.22 -21.89 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.5 65.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.52 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 12.5 mt -145.2 103.86 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 53' ' ' ASP . 7.8 tptt -101.66 159.99 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.6 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.8 t -89.07 111.12 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -10.22 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -87.3 -66.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.6 -42.23 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.07 56.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 56.1 m -145.62 123.18 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 4.8 p-10 -34.53 140.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 13.5 m-85 -149.05 -179.9 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -98.45 -172.59 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -78.0 -79.13 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -21.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.59 -57.28 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.4 t80 -36.99 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mm-40 -85.31 -59.97 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.4 p -68.99 -2.08 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.0 t60 -93.9 -4.52 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.45 -31.35 67.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.41 -33.25 20.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.444 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -93.17 -11.0 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 43.8 t -36.77 134.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.66 21.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -131.55 74.09 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.9 pt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.636 0.731 . . . . 0.0 111.156 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.06 64.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.23 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 53.9 t -70.77 134.46 86.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.22 26.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 4.5 m-20 -61.64 -8.75 4.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 4.8 mtp180 78.58 43.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . 0.413 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 1.2 p -121.77 144.58 41.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 64.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' MET . . . . . 0.451 ' HE1' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -157.14 119.79 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -111.63 127.99 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -108.6 -68.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 162.58 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -87.52 16.9 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -123.93 -47.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -88.46 4.12 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.641 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -59.1 -50.37 88.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.83 -10.03 27.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.273 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 6.65 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.4 t60 -107.36 -38.29 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.492 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.1 mt -81.0 -4.13 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.1 -55.94 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -154.85 25.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.588 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -130.71 10.56 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.3 t -109.65 129.44 23.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.76 3.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.27 . . . . 0.0 112.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.479 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.4 mmpt? -85.04 17.09 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.05 -19.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 24.8 mmm180 77.19 52.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 11.1 mt -145.07 104.1 3.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 8.6 tttt -116.53 149.36 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.7 136.84 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.35 13.58 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -123.42 -74.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.6 p -76.39 -12.6 60.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 54.95 60.05 9.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 55.5 m -140.85 113.93 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' CYS . 20.4 m-20 -35.33 147.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 27.5 m-85 -148.13 170.81 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.47 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -95.13 -171.94 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.409 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -73.03 -58.05 4.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.41 -15.95 63.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.81 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' ALA . 13.9 t80 -37.6 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -77.12 -61.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -60.94 -14.91 25.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -87.14 -4.78 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -57.3 122.44 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.96 -41.97 2.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.4 tpt -80.42 87.93 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.3 t -123.78 133.73 24.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -28.45 25.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -126.38 81.38 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.588 0.708 . . . . 0.0 111.176 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.57 68.38 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 t -76.36 134.03 70.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.716 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.14 30.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 4.9 m-20 -63.73 -11.31 25.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.18 23.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.64 139.75 21.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 64.17 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mmm -154.6 131.25 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.9 mttt -115.01 132.83 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -116.05 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 159.83 174.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -78.62 10.66 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -119.38 -46.88 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.33 8.33 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -63.7 -50.29 72.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.69 -25.11 29.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.65 -24.97 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' CYS . 41.9 t60 -80.24 -31.64 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.447 HD22 ' ND2' ' A' ' 21' ' ' ASN . 94.4 mt -84.55 8.86 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -98.22 -49.94 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.412 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -156.42 28.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.451 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.7 t0 -124.51 -25.5 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' HIS . 11.8 t -71.89 126.0 91.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 47.1 mttt -83.53 23.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -51.37 -23.73 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 64.6 61.18 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 10.3 mt -137.63 104.21 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 9.5 tttt -105.89 159.89 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 41.2 t -76.48 142.41 40.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.82 19.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 39.1 m-85 -134.19 -75.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 29.5 p -73.54 -28.36 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 71.56 61.09 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.519 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 76.5 m -144.65 121.29 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.8 p30 -34.52 141.65 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 12.4 m-85 -148.61 -176.02 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -101.3 -178.85 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.54 -87.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.528 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.75 -25.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -76.38 -56.69 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.5 t80 -48.89 -21.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -56.34 3.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -76.15 -6.74 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.6 t60 -92.05 -15.51 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.74 -22.17 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.6 -26.48 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.5 mmt -113.36 31.48 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.5 t -61.13 137.6 94.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.804 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . 0.46 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.81 -36.42 10.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 41.0 mm-40 -122.04 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.422 ' HG3' ' CD2' ' A' ' 49' ' ' PHE . 32.0 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.404 HG12 ' C ' ' A' ' 28' ' ' SER . 3.5 pt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.646 0.736 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.59 69.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 5.3 t -79.58 134.03 58.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.59 33.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 3.9 m-20 -66.63 -10.97 51.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.06 22.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.27 139.73 22.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 64.26 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtp -152.87 132.7 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -117.25 115.48 25.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.15 -70.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER 160.68 -175.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 mmm-85 -88.32 20.19 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -134.07 -41.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -88.55 7.39 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.655 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -64.74 -50.01 66.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.915 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.77 -25.91 28.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.54 -21.69 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 32.9 t60 -84.11 -34.77 24.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 32' ' ' LEU . 92.4 mt -80.52 6.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -95.08 -51.83 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.33 30.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 6.3 t0 -125.95 -26.94 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' HIS . 7.6 t -69.0 124.13 89.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.22 8.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 16.0 mmtm -93.54 22.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -49.17 -20.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 35.8 mmm-85 76.79 52.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -142.92 104.07 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.0 ttpm? -114.1 159.33 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 42.4 t -72.31 140.1 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.0 19.4 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -128.58 -74.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 p -74.14 -32.99 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.448 ' CA ' ' HD2' ' A' ' 46' ' ' LYS . . . 80.83 55.86 3.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 72.9 m -140.4 118.08 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' CYS . 43.0 p-10 -34.72 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 21.3 m-85 -147.47 169.55 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.439 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 1.4 m -92.96 -177.83 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.406 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -68.75 -78.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.73 -25.12 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -74.95 -64.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ALA . 12.2 t80 -36.06 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' ALA . 5.4 mm-40 -74.61 -49.84 20.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ALA . 45.5 m -71.64 -18.03 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -74.17 -22.79 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.33 128.6 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.25 -40.51 3.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.74 39.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.8 t -84.36 134.61 42.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -30.81 21.85 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -124.33 70.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 32' ' ' LEU . 4.3 pt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.624 0.726 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.25 53.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 6.4 t -65.29 134.17 95.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.707 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' CG ' HD11 ' A' ' 36' ' ' LEU . 53.5 Cg_endo -69.78 -16.11 37.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 29.0 m-20 -74.68 -10.18 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 84.27 22.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.26 140.14 22.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 64.71 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.78 128.84 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -112.23 130.01 56.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -113.43 -70.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 161.31 177.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 28' ' ' SER . 19.8 mtt180 -82.31 17.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 -44.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -88.28 14.81 8.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.666 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -65.03 -50.13 63.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 -40.02 5.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.91 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 48.5 t60 -97.05 -40.08 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 11.6 mt -75.96 -5.26 45.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -82.9 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.85 25.84 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.63 9.26 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.561 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.4 t -113.26 134.62 21.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.49 6.35 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -100.44 32.57 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 53.27 52.42 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 mt -115.25 106.32 13.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -110.24 146.69 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 t -81.8 125.84 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 48' ' ' GLU . 2.4 tp10 -76.03 -13.65 60.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 9.4 m-30 -81.82 -65.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.409 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 17.6 p -87.75 -50.0 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.49 41.71 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -122.8 169.48 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -93.29 143.83 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -148.81 -176.66 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -114.75 179.99 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.04 -64.81 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.34 -35.89 81.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.35 -54.88 30.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -52.12 -38.92 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -43.84 -57.11 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -70.6 -40.99 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' GLU . 53.2 t60 -62.77 -16.86 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 64' ' ' GLY . 8.7 tp10 -35.1 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 63' ' ' GLU . . . -82.32 -12.36 80.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -90.8 43.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 40.2 t -88.13 137.05 31.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.654 0.74 . . . . 0.0 110.819 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.19 15.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 2.7 mp0 -122.47 82.03 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.46 HD13 ' CD ' ' A' ' 29' ' ' ARG . 7.5 pt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.17 32.33 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.0 t -58.45 134.48 85.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -26.53 27.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.425 ' CG ' HD23 ' A' ' 36' ' ' LEU . 21.5 m-20 -64.95 -6.38 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' C ' ' A' ' 21' ' ' ASN . 16.4 mtp180 76.85 49.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.72 142.58 41.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 64.51 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtp -157.98 117.54 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 19.9 mttm -104.84 124.24 49.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -107.91 -70.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 159.38 177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' OG ' ' A' ' 28' ' ' SER . 12.7 mmm180 -78.75 13.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -121.72 -46.61 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -88.72 7.72 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.1 tp -65.99 -50.29 53.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.75 -28.92 24.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.66 -22.19 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HD23 ' A' ' 27' ' ' LEU . 52.2 t60 -78.7 -33.64 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.425 HD23 ' CG ' ' A' ' 21' ' ' ASN . 2.7 mt -83.04 -2.2 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tm0? -86.59 -58.85 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.8 OUTLIER -150.25 29.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.448 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -132.53 4.05 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.5 t -102.08 134.15 20.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.81 6.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 44' ' ' ARG . 8.7 mmmt -92.78 24.1 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 54' ' ' PHE . 3.8 ptt180 -36.28 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' LYS . 34.3 mtp180 61.82 40.21 13.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.88 111.73 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.19 136.75 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.34 129.9 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.77 28.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 2.1 m-85 -131.3 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.6 p -85.0 -37.55 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.03 52.11 2.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.4 m -141.23 137.75 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.97 141.83 57.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 60.2 m-85 -143.5 175.4 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m -98.51 -175.03 2.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -72.95 -58.33 4.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -64.16 -22.21 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' N ' ' OE1' ' A' ' 57' ' ' GLU . . . -87.15 -55.47 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -45.62 -31.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.2 -52.18 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 t -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 49.8 t60 -91.89 -9.76 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.43 -31.99 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.76 -21.34 9.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 65' ' ' MET . 3.2 ttp -103.3 14.74 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 t -60.07 138.88 91.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.68 12.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 5.1 mt-30 -124.2 83.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.6 pt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.31 66.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.406 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 t -73.71 134.02 79.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.99 35.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.509 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 3.8 m-20 -68.44 -10.59 56.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.0 22.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 p -97.05 139.62 21.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 64.1 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mmm -155.47 131.81 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.479 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 68.0 mttt -115.06 136.87 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -120.15 -71.19 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER 158.63 175.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' OG ' ' A' ' 28' ' ' SER . 31.4 mtp180 -79.02 11.7 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -119.52 -47.22 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -88.59 7.95 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.648 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.2 tp -63.41 -50.23 74.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 -22.14 32.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.55 -26.84 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' CYS . 40.9 t60 -78.08 -33.42 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.454 HD23 ' ND2' ' A' ' 21' ' ' ASN . 74.1 mt -82.94 9.17 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -98.66 -50.24 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 28.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.0 t0 -125.41 -25.38 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' HIS . 9.2 t -71.49 124.48 91.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.55 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 3.8 mmtp -84.22 18.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.21 -20.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 21.5 mmm180 76.9 55.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -122.84 104.9 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -127.51 137.49 52.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.71 158.06 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.45 -28.4 13.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -84.72 -70.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 15.9 p -73.71 -29.01 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.24 59.2 6.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 61.5 m -134.59 130.82 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -54.04 141.92 26.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 45.1 m-85 -148.76 166.75 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -97.68 -173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.15 -35.44 64.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.31 -26.12 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.366 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.99 -60.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.627 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 51.9 t80 -45.05 -30.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.54 -60.04 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -75.74 -5.13 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 58' ' ' ALA . 37.6 t60 -91.07 -13.24 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.87 -24.38 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.68 -23.8 7.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.2 mtp -120.27 86.26 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.8 136.94 19.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.43 22.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.0 mt-30 -124.55 77.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.412 ' CD1' HD21 ' A' ' 32' ' ' LEU . 25.6 pt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 144.88 55.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 9.7 t -67.1 133.73 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.45 27.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 25.7 m-20 -63.91 -7.05 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 8.0 mtt85 78.78 48.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -126.0 140.5 37.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 64.56 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mtp -155.4 117.5 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -103.49 123.14 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -108.28 -69.97 0.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 160.12 175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.423 ' N ' ' OG ' ' A' ' 28' ' ' SER . 66.3 mtp180 -80.14 12.9 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -121.21 -47.18 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.97 4.04 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.657 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -58.1 -50.21 89.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.8 -31.09 21.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.45 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HD23 ' A' ' 27' ' ' LEU . 50.3 t60 -85.35 -30.05 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.4 mt -85.69 -4.6 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -54.41 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 30.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -134.07 8.96 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.9 t -107.52 130.81 22.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.459 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 12.6 mmtm -96.46 31.44 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -54.85 -20.39 8.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.32 50.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 43' ' ' ARG . 11.9 mt -145.04 104.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HZ2' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -124.21 156.9 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -55.79 147.0 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.58 22.72 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' OE2' ' A' ' 69' ' ' GLU . 82.0 m-85 -129.54 -56.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 p -94.87 2.34 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.08 59.58 2.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASP . 91.3 m -135.68 117.8 15.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' CYS . 14.2 p-10 -35.82 142.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -146.04 -175.98 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.444 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -106.98 -174.98 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.86 -60.52 3.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.38 -22.47 62.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.42 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.3 t80 -53.74 -23.93 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.57 -58.59 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -63.72 -10.6 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -84.12 -11.49 56.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.3 -10.37 57.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.8 -9.83 34.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttp -148.97 114.92 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 46.7 t -130.42 134.84 26.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.57 12.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -122.08 75.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 49' ' ' PHE . 3.8 tp10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.97 69.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.3 t -69.86 135.14 87.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 -22.93 31.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.5 m-20 -66.43 -7.26 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 5.9 mtp85 78.0 27.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.03 144.34 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 64.21 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mmm -159.78 127.59 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' LYS . . . . . 0.419 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.2 mttp -118.7 143.59 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -121.34 -71.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 11.4 t 170.22 -177.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' N ' ' OG ' ' A' ' 28' ' ' SER . 56.7 mtp180 -87.94 24.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -138.27 -41.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.88 7.66 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.56 -49.1 72.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 -6.76 19.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.37 7.14 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.4 t60 -108.86 -39.16 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mt -77.05 -3.53 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.4 tt0 -85.14 -66.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.88 27.22 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' ASP . . . . . 0.57 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -133.66 10.26 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 52.3 t -111.53 131.59 22.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.8 6.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -101.59 33.27 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -32.86 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 61.66 54.36 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -130.13 103.89 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.47 157.72 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.62 127.29 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 18.9 pt-20 -81.74 16.09 1.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 9.3 m-85 -116.5 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' CYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.7 p -93.4 -32.05 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.53 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.29 148.57 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.87 143.29 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 30.2 m-85 -144.86 145.13 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.43 146.22 42.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . 72.22 -176.59 40.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.97 -14.44 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.68 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.0 -31.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.56 -53.66 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -64.94 -11.83 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 47.5 t60 -83.12 -9.67 59.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.47 -25.33 65.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.49 -31.26 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 ttt -113.74 69.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 t -107.97 138.64 20.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -39.62 6.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 6.4 mp0 -121.15 71.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -128.46 95.96 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -146.0 140.1 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.03 -43.7 1.31 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 59.1 55.0 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 p -153.94 177.8 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.87 144.77 11.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -125.48 164.34 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -50.48 -177.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -146.37 135.7 22.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -93.68 178.78 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.8 m -103.19 79.25 1.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.2 p -56.29 161.85 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -138.4 154.95 48.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 45.31 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.452 HG22 ' N ' ' A' ' 17' ' ' ILE . 1.1 m -134.71 -177.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.457 ' CD1' HD21 ' A' ' 32' ' ' LEU . 30.6 pt -130.1 147.31 65.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.89 44.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.7 t -81.81 135.36 48.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -20.53 34.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 4.7 m-20 -68.5 -10.75 57.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.3 20.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -96.62 144.01 27.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 64.3 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.57 125.52 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.413 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 16.4 mttp -114.65 143.55 44.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.422 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -120.97 -70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 165.63 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 27.88 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . 0.464 ' CZ ' ' OD2' ' A' ' 31' ' ' ASP . 16.9 ptt-85 -142.8 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.464 ' OD2' ' CZ ' ' A' ' 30' ' ' ARG . 48.9 m-20 -88.72 8.69 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.653 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.08 -50.13 70.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.653 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.7 -8.31 23.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.54 6.51 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.0 t60 -109.8 -39.9 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.491 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.4 mt -78.14 -4.33 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -84.45 -62.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.68 28.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.61 9.81 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.565 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 48.7 t -107.47 133.14 20.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.6 mmtt -87.26 24.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.503 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.95 -21.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 25.3 mtp180 76.68 58.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.503 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 8.3 mt -143.97 104.03 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.452 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 4.7 tttp -112.73 142.13 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.9 152.54 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.1 -7.25 56.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.03 -74.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.453 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 20.4 p -70.56 -19.98 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 53.13 65.19 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' ASP . 73.1 m -142.02 115.91 9.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.4 m-20 -36.32 140.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 16.0 m-85 -149.02 173.99 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.467 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -93.7 -172.11 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -81.82 -27.63 45.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -79.78 -21.15 44.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.51 -54.43 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.62 -23.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.9 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 p -80.97 -0.16 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 19.2 t60 -94.93 -11.79 27.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.95 -27.36 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.14 -23.04 6.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -112.91 67.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.68 137.5 21.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -32.34 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.453 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 3.1 mp0 -121.95 65.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.76 -35.35 80.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 t -118.73 -68.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -45.97 128.42 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.85 -162.07 11.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 159.2 54.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.248 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -65.54 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -112.85 97.03 6.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.436 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -149.71 -179.55 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -118.43 29.18 7.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -174.82 25.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.89 67.31 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 0.0 110.823 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -110.76 135.18 51.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.83 -132.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 34.1 t-80 49.9 47.11 23.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.89 157.03 10.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -147.56 155.42 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -45.36 109.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 m -159.15 128.82 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 m -60.99 90.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -92.63 114.78 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -115.72 128.64 56.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.32 173.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 pt -131.82 150.5 76.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.08 66.46 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.0 t -70.32 134.69 86.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.69 27.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.416 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 26.7 m-20 -62.23 -8.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.416 ' HG3' ' C ' ' A' ' 21' ' ' ASN . 6.8 mtp85 76.73 32.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.484 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 1.6 p -107.05 143.32 26.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 64.45 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 mmm -156.15 128.63 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.482 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 17.1 mtpt -116.78 142.54 46.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.482 ' CD1' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.8 -70.29 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 162.49 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -94.82 28.63 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -142.1 -43.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.93 10.25 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.68 -49.98 67.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.8 -8.19 22.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 5.87 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.1 t60 -109.05 -43.89 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.7 mt -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' GLY . 7.2 tt0 -80.49 -71.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.89 26.94 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.73 8.91 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 43.1 t -113.61 136.69 22.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.81 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.484 ' HD3' ' CB ' ' A' ' 23' ' ' CYS . 1.7 mptt -96.28 27.95 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' LYS . 17.4 ptt-85 -34.55 -35.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 42' ' ' LYS . 46.7 mtt180 57.34 44.42 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.98 111.78 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.2 158.26 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.29 127.17 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.31 17.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -120.83 -55.28 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.3 p -101.95 -20.48 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.26 50.28 6.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.452 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 8.4 m -123.42 149.22 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.12 138.14 31.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.452 ' CZ ' ' HB3' ' A' ' 52' ' ' CYS . 74.4 m-85 -148.99 177.38 9.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 35.2 m -106.83 179.34 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -73.86 -22.61 77.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -86.88 -27.13 23.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.72 -51.58 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.0 t80 -44.13 -29.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.93 -52.62 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.8 t -72.07 -16.69 62.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.435 ' CE1' ' HD2' ' A' ' 67' ' ' PRO . 38.0 t60 -82.36 -22.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -77.86 131.02 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.33 -39.09 3.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 ttp -105.22 -75.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 t 60.2 138.71 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.435 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 53.3 Cg_endo -69.81 -35.32 12.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 10.8 mp0 -124.69 75.66 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -72.68 -23.72 60.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -118.07 -178.39 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.3 p -79.57 104.17 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.94 -174.44 1.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 75.76 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 m -116.08 -32.98 5.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -125.61 142.59 51.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -106.6 109.71 21.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 t 56.6 40.17 29.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.31 140.24 25.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -157.64 152.79 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.839 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -118.87 164.51 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.22 75.5 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -77.33 173.3 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -94.37 127.06 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 4.7 t30 -102.21 86.04 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -71.07 107.66 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -119.34 176.41 5.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.4 p -126.76 108.89 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.4 t80 -168.15 139.7 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -57.38 135.75 56.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 10.2 m -134.55 -176.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.423 ' CD1' HD21 ' A' ' 32' ' ' LEU . 4.7 pt -132.72 152.08 79.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.136 179.907 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.19 69.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.0 t -75.99 135.3 70.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -19.84 35.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.496 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 3.7 m-20 -69.85 -11.56 60.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.89 21.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -97.0 143.11 25.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 64.43 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.391 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.407 ' HE1' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -155.84 120.49 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 22.2 mttp -112.63 123.52 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.432 HD21 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -100.72 -70.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 169.01 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 28' ' ' SER . 27.8 ttp180 -91.1 27.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -142.41 -40.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.85 7.65 33.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.661 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.54 -49.23 71.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.946 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.8 -6.89 19.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.36 9.82 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.563 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.2 t60 -111.41 -37.69 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.7 mt -79.38 -5.97 55.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.32 -63.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.39 28.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -133.13 9.41 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.563 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.7 t -111.98 135.07 21.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.03 19.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -102.65 18.27 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.471 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -34.58 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' LYS . 21.1 mtp85 62.99 49.35 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 mt -118.19 119.06 33.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -135.84 147.04 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.3 131.45 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -82.43 17.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -124.32 -66.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.0 -21.86 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.14 54.82 6.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -128.04 123.21 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.37 141.89 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -148.67 165.66 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -92.19 177.99 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -77.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.21 -31.49 67.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -63.38 -59.17 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -41.28 -43.13 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.29 -39.25 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' ALA . 3.2 m -75.89 -22.33 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.55 -37.04 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -57.82 108.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.78 -38.08 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.9 mtp -107.65 24.2 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.07 138.07 97.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.97 15.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -125.26 79.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.07 0.86 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -151.58 155.26 38.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -54.64 162.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 146.47 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.2 103.48 15.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -99.24 122.7 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.494 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -84.75 63.3 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 p -135.37 168.8 18.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 154.72 44.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -121.7 -179.43 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -86.03 168.15 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.2 -179.56 0.65 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -73.21 176.16 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.67 164.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -70.35 -177.38 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -75.87 162.92 27.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -60.94 -174.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -125.89 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 35.9 m-85 -100.86 134.78 43.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 54.99 30.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.05 166.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.465 ' CD1' ' C ' ' A' ' 28' ' ' SER . 0.2 OUTLIER -122.87 151.06 60.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.86 68.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.6 t -71.66 135.27 83.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 -19.42 36.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.505 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 6.3 m-20 -69.95 -10.7 59.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.94 21.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.66 142.12 24.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 64.35 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.415 ' HE2' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -154.34 127.63 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.466 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 11.5 mttp -112.0 140.95 46.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.561 HD21 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -124.5 -70.33 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.52 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.1 t 159.33 175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.447 ' N ' ' OG ' ' A' ' 28' ' ' SER . 13.7 mmt180 -79.84 12.67 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -120.33 -46.92 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -91.48 11.13 25.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.661 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.4 tp -63.89 -49.99 72.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.661 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.84 -23.67 30.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.45 6.51 48.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CD2' HD21 ' A' ' 27' ' ' LEU . 52.7 t60 -104.45 -43.22 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.493 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.1 mt -74.09 -6.57 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.9 tp60 -79.73 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -139.83 20.46 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -124.35 10.12 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.4 t -113.92 134.76 22.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 11.7 mmtt -110.17 28.87 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -36.25 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 62.0 50.25 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.87 103.98 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HG3' ' C ' ' A' ' 52' ' ' CYS . 6.6 ttpm? -111.56 154.96 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.13 157.31 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -29.14 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE2' ' CG ' ' A' ' 69' ' ' GLU . 5.2 m-30 -74.36 -62.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.47 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.6 p -87.4 -46.99 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.02 54.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.536 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.419 ' C ' ' HG3' ' A' ' 46' ' ' LYS . 6.7 m -133.21 135.25 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -47.72 142.22 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 22.5 m-85 -148.9 171.69 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.5 m -91.71 -179.77 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -66.21 -77.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.403 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 6.6 pt-20 -54.38 -36.03 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.403 ' N ' ' HG3' ' A' ' 57' ' ' GLU . . . -63.25 -60.33 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 2.1 t80 -40.24 -40.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -51.02 71.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -70.23 -20.67 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 66.4 t60 -83.31 -18.02 40.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.73 -28.42 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.29 -21.11 13.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.3 mmm -122.63 84.69 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 41.3 t -113.82 136.55 22.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.47 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.0 mm-40 -125.69 84.62 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.565 ' CG ' ' CE2' ' A' ' 49' ' ' PHE . 7.4 tm-20 -99.18 87.04 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 p -107.83 35.74 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.9 p -173.19 170.85 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.43 151.47 1.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.631 2.22 . . . . 0.0 112.388 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -128.46 72.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -90.4 -49.42 6.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -93.68 -19.31 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -52.04 98.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.8 -153.68 6.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -112.71 157.59 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 p -105.72 13.4 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.49 -172.06 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -96.9 151.64 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.556 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -112.3 114.31 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -106.03 -42.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -122.88 96.36 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -114.21 52.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -89.26 -35.25 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -136.21 75.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -44.55 127.89 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -108.13 157.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.517 ' N ' ' CG2' ' A' ' 16' ' ' VAL . 18.7 pt -112.32 145.99 33.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.08 35.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.439 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 11.5 t -80.3 134.15 55.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.423 ' CG ' HD12 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.78 -25.4 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 22.7 m-20 -62.9 -11.49 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER 84.33 23.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.34 141.61 23.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 64.46 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.14 124.8 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.505 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 29.2 mttt -114.36 143.82 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -121.22 -70.51 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.414 ' O ' ' CG1' ' A' ' 17' ' ' ILE . 0.3 OUTLIER 171.16 -167.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -95.26 23.33 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -141.98 -39.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -88.39 8.33 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -63.9 -50.1 71.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.93 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.72 -26.65 27.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.29 -7.5 58.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 51.3 t60 -99.51 -34.21 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.471 HD12 ' CD1' ' A' ' 32' ' ' LEU . 29.1 mt -80.8 -6.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.86 -61.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.23 33.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -138.58 11.85 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.528 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 51.7 t -110.24 134.91 20.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.6 mmmt -88.84 27.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' NH2' ' CD2' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.57 -19.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 13.6 mmm180 77.36 56.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.52 ' CD2' ' NH2' ' A' ' 43' ' ' ARG . 2.1 mp -143.28 104.09 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -119.16 149.2 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.73 134.3 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.54 21.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.24 -65.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.1 p -87.29 -17.59 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.37 57.93 11.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 87.2 m -143.23 120.23 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.43 153.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 38.2 m-85 -149.0 -177.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -102.96 -173.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.11 -64.89 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.22 -15.87 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -97.81 -65.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.498 ' CD2' ' HB3' ' A' ' 45' ' ' LEU . 8.3 t80 -41.29 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 2.1 tt0 -81.04 -43.64 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ALA . 93.7 p -85.25 -8.03 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -91.22 -18.71 23.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 2.3 pt-20 -78.31 46.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.37 -36.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 mtp -118.92 37.22 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.08 137.56 47.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.69 17.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -125.38 60.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -42.96 -34.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.9 t -88.0 145.49 25.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -80.99 -52.86 6.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.83 150.77 27.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 126.54 13.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.3 m -131.14 8.87 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -84.67 132.43 34.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -122.28 27.48 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 4' ' ' GLY . 34.7 t -65.63 -175.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' OG ' ' A' ' 3' ' ' SER . . . 121.05 38.93 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -103.72 110.56 22.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -120.07 155.84 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.47 154.63 22.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -169.62 125.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.402 ' O ' ' CE1' ' A' ' 8' ' ' HIS . 4.0 tt -65.29 120.57 13.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -167.54 173.39 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.893 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -122.88 70.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.1 m -96.01 -48.41 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 65.17 50.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -151.15 140.77 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -91.11 82.15 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.2 OUTLIER -127.39 -168.69 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.899 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 1.8 pp -133.79 142.33 43.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.48 53.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.2 t -74.57 135.45 75.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.406 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -20.98 33.95 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 16.0 m-20 -70.61 -4.61 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER 74.73 36.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 146.0 34.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 64.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mmm -159.76 129.37 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.465 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 7.7 mttm -115.67 145.24 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.537 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -127.43 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.537 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 158.25 177.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . 6.0 mmm-85 -82.68 20.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -124.95 -48.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.59 7.15 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -57.49 -49.9 91.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.78 -21.6 33.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.44 8.58 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.568 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.2 t60 -108.13 -44.17 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -73.77 -3.97 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.416 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.0 tt0 -83.13 -71.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.14 21.15 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -126.61 10.51 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.568 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 40.3 t -114.86 135.51 22.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.87 11.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ARG . 13.0 mmtt -106.09 33.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.06 -28.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' LYS . 6.8 mmm180 62.28 46.71 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.41 103.92 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 148.37 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.5 t -88.66 113.99 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.12 0.36 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 4.3 m-85 -96.53 -52.38 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.467 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.1 p -106.02 -28.0 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 84.07 39.89 9.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 89.9 m -125.16 119.62 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.47 145.98 4.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.681 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 51.6 m-85 -147.71 171.37 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.98 177.59 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.416 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -69.76 -37.31 75.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -82.92 -32.08 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -48.57 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -49.24 -44.56 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -49.05 -53.56 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -73.7 -26.86 60.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.681 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 72.2 t60 -66.44 -20.32 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.25 130.79 43.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.43 -33.21 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' CYS . 11.0 ptm -94.13 -9.05 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' MET . 18.5 t -35.1 138.34 0.37 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.39 12.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.467 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 20.2 mt-30 -123.13 60.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -46.56 -63.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -130.17 48.44 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -126.1 131.8 52.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.0 155.05 16.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.9 12.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.7 t -126.46 124.34 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -77.49 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -124.67 150.61 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -128.63 80.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.02 -154.4 17.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -120.68 37.45 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -79.71 63.5 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.4 -130.39 3.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.3 151.28 51.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.35 -176.28 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -54.16 152.91 5.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 p -120.44 156.91 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 m -133.31 99.0 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.1 p -117.37 -50.87 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.2 159.14 15.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -80.26 138.37 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.02 178.25 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.461 ' CD1' HD21 ' A' ' 32' ' ' LEU . 2.2 pt -136.49 154.97 77.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.741 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.43 30.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 35.4 t -52.05 134.49 39.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.459 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.78 -18.34 36.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.407 ' C ' ' HG3' ' A' ' 22' ' ' ARG . 30.3 m-20 -73.71 -7.15 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.407 ' HG3' ' C ' ' A' ' 21' ' ' ASN . 3.0 mtp85 77.02 36.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.977 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.02 145.28 31.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 64.97 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtp -158.89 116.63 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.3 mttt -106.27 124.92 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.522 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -108.34 -70.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 159.8 176.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 52.6 mtp180 -80.03 13.57 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -120.24 -47.93 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -94.56 16.81 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.0 tp -65.97 -50.03 54.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.77 -35.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.91 -0.25 30.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.56 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 45.3 t60 -100.73 -40.12 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.573 ' N ' ' CD2' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -76.4 -6.46 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -79.88 -68.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.35 24.83 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -130.11 9.84 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.56 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.6 t -113.12 134.49 21.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -31.44 20.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -109.64 31.51 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -42.33 -24.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 21.8 mtm180 70.16 50.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -133.79 105.8 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.457 ' HG2' ' N ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -115.42 149.03 38.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.457 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 42.7 t -79.3 131.32 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.489 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 14.4 pt-20 -83.54 19.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.489 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 28.1 m-85 -124.86 -63.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.3 p -89.4 -8.4 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.04 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.9 m -143.08 130.53 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 150.04 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.784 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 23.5 m-85 -148.14 168.32 22.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.98 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.52 -80.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.17 -29.56 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -56.0 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -40.58 -32.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -58.0 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 p -66.93 -12.07 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.784 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 29.9 t60 -93.19 -7.4 45.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.18 30.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.59 -37.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.4 ttt -109.5 -70.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 16.7 t 60.35 138.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.11 13.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.7 mp0 -123.51 83.45 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -79.89 -47.31 15.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -66.22 90.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.8 p -52.42 122.94 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.69 159.48 24.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.56 45.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 t -153.98 166.77 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 t -107.31 131.25 54.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.431 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 p -69.81 151.68 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -89.12 -67.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.18 -173.93 28.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -136.12 144.54 45.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -113.39 16.61 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.79 99.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -55.91 147.8 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 2.8 tt -71.3 149.78 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 57.3 m-20 -66.3 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -90.23 -28.21 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.01 123.17 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 t -76.53 93.71 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -99.91 141.8 32.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.434 ' C ' ' CG1' ' A' ' 16' ' ' VAL . 22.1 t-20 -88.82 146.52 24.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.434 ' CG1' ' C ' ' A' ' 15' ' ' ASN . 1.0 OUTLIER -156.34 179.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 29' ' ' ARG . 2.2 pt -142.7 157.68 61.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.54 57.46 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 51.5 t -65.1 135.6 96.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.44 27.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 8.2 m-20 -63.89 -8.04 9.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp180 77.1 37.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -112.83 144.32 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 64.66 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.465 ' HE3' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -157.59 119.56 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.403 ' C ' HD11 ' A' ' 27' ' ' LEU . 11.0 mttm -107.66 128.66 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -110.09 -70.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 t 159.73 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 75.7 mtm180 -81.63 16.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -123.24 -47.19 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -94.3 13.8 22.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -64.88 -50.0 65.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.78 -23.09 31.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.6 7.4 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.553 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 55.4 t60 -105.55 -41.22 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt -77.3 -6.36 52.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -78.91 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.65 22.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -126.76 10.99 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.553 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.8 t -112.64 135.1 21.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.72 16.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 3.7 mmmt -105.27 30.85 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.404 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -46.61 -31.1 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 18.2 mtm180 75.46 46.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 mt -137.87 104.49 5.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 159.3 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.57 157.03 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -99.29 -29.91 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.496 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 11.1 m-30 -74.53 -71.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.2 p -80.26 -44.06 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.26 58.72 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 73.9 m -123.75 128.05 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.75 131.3 9.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 37.7 m-85 -145.43 173.48 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -93.21 -177.19 4.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.78 -27.85 40.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -91.21 -21.47 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -91.66 -52.45 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t80 -37.17 -44.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.36 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' ALA . 15.1 m -77.74 -15.1 59.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 79.1 t60 -83.71 -37.93 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.87 -19.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 -27.43 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.16 46.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.67 135.02 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.72 37.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -142.63 93.68 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.496 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -108.26 -160.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -56.82 -51.04 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 m -67.59 127.68 33.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.22 60.36 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.27 13.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -39.3 111.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -71.34 -37.14 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.467 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -143.4 140.32 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m -158.8 146.74 18.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.52 113.18 1.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -114.07 160.58 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -102.61 -175.17 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.27 -152.9 27.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 21.2 m-70 -127.5 -177.52 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 -179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.2 mp -134.25 -175.69 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -55.62 176.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 t -150.31 147.92 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 m -111.92 85.11 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.4 m -127.04 130.5 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 7.3 t80 -104.41 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 46.6 41.69 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.444 ' CG2' ' O ' ' A' ' 14' ' ' PHE . 0.8 OUTLIER -118.97 171.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 pt -113.38 139.44 23.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.28 67.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 50.0 t -74.46 135.52 75.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.402 ' CG ' HD13 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.73 -21.34 33.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.501 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 4.5 m-20 -67.94 -11.12 58.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.06 21.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.47 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -98.77 142.75 25.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.657 0.741 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.38 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mmm -157.59 127.95 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 12.1 mttm -117.16 145.67 43.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.473 ' CD1' ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.4 -70.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' SER . . . . . . . . . . . . . 0.3 OUTLIER 169.41 -160.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.909 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -103.97 27.51 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -142.74 -39.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.88 7.2 35.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -63.11 -49.06 82.56 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.97 15.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 78.7 t60 -95.15 -44.51 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.495 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 4.2 mt -76.16 -8.24 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -78.38 -61.06 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.409 ' ND1' ' HG3' ' A' ' 57' ' ' GLU . 4.3 p80 -151.8 24.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -129.59 14.34 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' HIS . 50.3 t -111.04 132.62 21.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.47 ' HG3' ' CB ' ' A' ' 23' ' ' CYS . 5.9 mmtp -87.03 19.89 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.456 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.1 OUTLIER -47.0 -21.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 62.58 53.99 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.4 HD12 ' NH1' ' A' ' 43' ' ' ARG . 3.3 mt -144.17 103.88 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 159.43 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.3 t -55.58 139.72 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.67 19.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 2.2 m-85 -128.76 -69.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.7 p -84.58 5.04 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.03 61.15 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ASP . 95.8 m -129.72 118.35 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.1 p30 -34.93 137.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -148.72 -176.24 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -104.99 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.93 -84.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.409 ' HG3' ' ND1' ' A' ' 38' ' ' HIS . 2.6 mt-10 -46.3 -44.15 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.34 -57.33 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.2 t80 -44.22 -34.2 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.41 -58.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -61.88 -19.56 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -76.15 -22.0 55.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.45 -14.8 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -27.73 5.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.38 74.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.6 137.18 19.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.45 7.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -125.25 73.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' CD1' ' A' ' 49' ' ' PHE . 10.5 tp10 -73.56 -18.27 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -123.19 127.01 48.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.0 p -54.61 143.46 24.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.12 -177.84 26.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -165.63 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.5 m -149.13 162.0 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 m -69.49 90.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -115.68 -3.79 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -151.81 176.93 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 149.73 -59.41 0.44 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.2 t -38.07 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -157.45 116.56 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 69.42 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.55 121.53 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.5 tp -72.33 138.23 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -85.16 77.01 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -45.5 129.08 8.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.1 p -139.11 112.15 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -106.49 36.23 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -105.44 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -79.66 86.46 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.466 HG22 ' N ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -135.38 -174.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.466 ' N ' HG22 ' A' ' 16' ' ' VAL . 19.7 pt -139.53 149.24 59.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.47 49.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.445 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 47.9 t -81.27 135.09 50.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.55 37.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.469 ' ND2' HD23 ' A' ' 36' ' ' LEU . 4.0 m-20 -74.19 -7.66 53.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.3 ptp180 81.07 18.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -92.24 139.75 24.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 64.35 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.385 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 mmm -154.44 136.29 14.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.496 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 24.3 mttm -119.27 136.56 54.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -120.82 -71.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER 158.38 175.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.456 ' N ' ' OG ' ' A' ' 28' ' ' SER . 13.3 mtp85 -78.78 10.51 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -118.72 -46.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.63 10.61 22.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.4 tp -65.15 -49.81 64.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 -27.28 26.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.285 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.47 -23.36 27.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HD23 ' A' ' 27' ' ' LEU . 38.6 t60 -81.6 -36.1 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.469 HD23 ' ND2' ' A' ' 21' ' ' ASN . 56.2 mt -80.2 6.69 11.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 56' ' ' GLY . 20.2 tt0 -94.98 -58.67 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.404 ' CD2' ' HG2' ' A' ' 37' ' ' GLN . 0.5 OUTLIER -149.63 29.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.425 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -124.75 -22.53 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.529 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 35.3 t -74.29 129.5 84.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.9 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.7 mmtm -82.0 17.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -38.39 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 36.4 mtp85 46.66 56.62 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.59 115.93 22.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.21 144.82 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.9 t -66.63 135.89 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.507 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 2.5 pt-20 -81.41 15.02 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.507 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 73.3 m-85 -126.92 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 31.8 p -92.25 9.14 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' CYS . . . 37.37 60.48 1.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.5 m -132.33 142.44 49.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.82 139.93 57.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 33.5 m-85 -148.96 177.28 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -104.42 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.777 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -75.11 -65.31 2.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.02 -28.9 69.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.91 -55.17 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.8 t80 -45.55 -40.21 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.17 -53.67 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -68.86 -23.2 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 t60 -72.59 -22.46 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.76 -30.01 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.59 -21.14 22.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 ptp -124.75 111.14 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.0 t -139.45 137.0 18.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -34.94 13.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.74 67.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -76.8 67.7 2.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -127.38 166.98 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.8 m -88.83 1.44 55.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . 40.94 52.86 3.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 54.0 Cg_endo -69.76 90.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t 51.76 36.57 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 m -83.05 -178.04 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.52 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -165.47 176.52 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -79.31 -32.37 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.52 -111.72 4.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -89.54 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -96.46 169.59 9.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.97 -174.22 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -112.43 131.12 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.6 pt? -54.57 137.48 43.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -123.93 140.13 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -92.27 152.51 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.96 100.81 7.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -91.4 172.99 8.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -99.7 1.28 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -85.84 -14.15 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.45 -173.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.452 ' CD1' HD23 ' A' ' 32' ' ' LEU . 32.3 pt -141.18 152.74 65.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.54 65.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.52 135.03 86.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -19.53 35.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.511 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 4.6 m-20 -69.03 -10.85 59.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.86 22.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.12 140.88 22.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 64.42 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtp -155.31 117.05 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 24.7 mttt -106.51 121.92 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.508 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -105.09 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.6 t 160.04 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.452 ' N ' ' OG ' ' A' ' 28' ' ' SER . 17.9 mmt180 -80.8 15.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -122.25 -47.81 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -88.66 5.18 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.644 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -60.27 -50.41 86.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.644 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.8 -22.37 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.58 24.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.499 ' CD2' HD22 ' A' ' 27' ' ' LEU . 21.0 t60 -86.74 -38.66 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -78.82 6.51 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.951 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.2 tp60 -96.35 -48.7 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -156.0 32.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.446 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 2.6 t0 -128.93 -29.23 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.448 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 11.2 t -66.95 128.61 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.5 26.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.635 2.223 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 21.2 mttp -109.11 26.26 10.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LYS . 7.9 ptt-85 -37.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' LYS . 32.1 mtp85 61.83 52.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 15.2 mt -124.34 104.44 8.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 3.1 tmmm? -129.98 151.7 50.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 42.0 t -90.27 134.33 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.94 20.21 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -123.83 -75.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p -75.04 -26.41 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.97 56.62 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 57.2 m -140.45 129.89 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.84 153.82 23.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 60.3 m-85 -148.69 -175.96 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 5.2 m -114.65 155.32 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' LEU . . . -43.82 -32.15 2.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -87.89 -39.36 14.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.445 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -68.53 -58.13 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' ALA . 54.8 t80 -36.29 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -74.01 -46.76 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t -73.21 -15.03 61.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 14.7 t60 -84.62 -54.36 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.57 139.48 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.44 -17.35 40.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ttt -126.07 -72.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.346 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.94 134.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 -31.45 20.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' SER . 36.1 mm-40 -122.41 -13.39 8.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLN . 9.8 tp10 34.34 34.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' GLN . 3.5 p -34.83 114.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -52.93 4.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.45 66.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.11 58.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -79.11 125.37 29.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 m -101.79 1.21 36.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.502 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -119.6 99.12 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t 59.67 52.94 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.6 -134.53 7.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 p -140.2 177.92 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.43 169.72 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 -78.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m80 48.87 26.49 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.19 171.64 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -124.76 163.27 22.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 m -118.04 142.62 47.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 p -102.49 168.12 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -124.68 44.07 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -110.4 179.14 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -66.72 107.93 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -139.19 179.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 HD12 ' CG ' ' A' ' 29' ' ' ARG . 4.9 pt -127.9 152.6 77.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 153.88 68.13 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.44 135.6 84.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.59 33.11 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.512 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 2.7 m-20 -67.3 -11.59 57.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 84.33 22.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.73 142.82 25.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 64.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.282 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmm -157.24 127.08 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.3 mttp -113.93 142.39 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.949 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.456 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -122.85 -69.93 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 163.06 174.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' OG ' ' A' ' 28' ' ' SER . 42.8 mtm180 -78.69 10.62 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -119.55 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.51 9.97 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.652 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -63.22 -50.5 74.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.652 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.79 -20.19 35.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.17 6.56 48.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 74.6 t60 -106.02 -40.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . . . . . . . . . 1.4 mt -76.86 -3.85 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 45.1 tt0 -84.58 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -147.29 27.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.07 7.57 4.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.4 t -105.23 130.76 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 33.6 mmtt -83.37 23.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.52 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.1 OUTLIER -52.22 -21.89 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.5 65.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.52 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 12.5 mt -145.2 103.86 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.449 ' HD2' ' N ' ' A' ' 53' ' ' ASP . 7.8 tptt -101.66 159.99 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.6 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.8 t -89.07 111.12 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -10.22 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -87.3 -66.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.6 -42.23 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.07 56.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 56.1 m -145.62 123.18 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.449 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 4.8 p-10 -34.53 140.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 13.5 m-85 -149.05 -179.9 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -98.45 -172.59 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -78.0 -79.13 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -21.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.59 -57.28 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.4 t80 -36.99 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mm-40 -85.31 -59.97 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.4 p -68.99 -2.08 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.0 t60 -93.9 -4.52 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.45 -31.35 67.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.41 -33.25 20.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.444 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -93.17 -11.0 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.471 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 43.8 t -36.77 134.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.66 21.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -131.55 74.09 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.65 -22.98 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.2 t -148.55 146.89 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.2 p -105.52 144.01 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.21 11.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -22.3 32.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -81.83 -51.47 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -81.04 -10.4 59.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.464 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p 44.85 33.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -130.25 146.16 51.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.24 56.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.6 p -42.39 -46.18 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.0 m 36.61 49.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 151.34 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -91.2 136.76 32.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.419 ' CD2' ' C ' ' A' ' 9' ' ' LEU . 4.5 tt -147.73 117.06 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -157.6 119.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -92.27 125.3 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.78 127.38 31.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -109.07 160.54 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -117.49 160.89 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 61.77 37.86 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.31 -179.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 3.9 pt -140.23 155.22 70.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.156 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.06 64.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.23 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 53.9 t -70.77 134.46 86.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -27.22 26.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.435 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 4.5 m-20 -61.64 -8.75 4.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 4.8 mtp180 78.58 43.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . 0.413 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 1.2 p -121.77 144.58 41.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 64.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' MET . . . . . 0.451 ' HE1' ' CD1' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -157.14 119.79 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.886 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 16.5 mttp -111.63 127.99 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.474 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -108.6 -68.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 162.58 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -87.52 16.9 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -123.93 -47.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -88.46 4.12 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.641 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -59.1 -50.37 88.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.641 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.83 -10.03 27.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.273 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 6.65 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.4 t60 -107.36 -38.29 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.492 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.1 mt -81.0 -4.13 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.1 -55.94 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.4 ' CB ' ' HA3' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -154.85 25.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.987 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.588 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -130.71 10.56 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.3 t -109.65 129.44 23.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.76 3.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.27 . . . . 0.0 112.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.479 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.4 mmpt? -85.04 17.09 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.489 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.05 -19.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 24.8 mmm180 77.19 52.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.489 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 11.1 mt -145.07 104.1 3.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 8.6 tttt -116.53 149.36 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.7 136.84 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.35 13.58 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -123.42 -74.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.6 p -76.39 -12.6 60.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.458 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 54.95 60.05 9.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 55.5 m -140.85 113.93 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' CYS . 20.4 m-20 -35.33 147.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 27.5 m-85 -148.13 170.81 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.47 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -95.13 -171.94 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.409 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -73.03 -58.05 4.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.41 -15.95 63.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.81 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' ALA . 13.9 t80 -37.6 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -77.12 -61.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -60.94 -14.91 25.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -87.14 -4.78 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -57.3 122.44 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.96 -41.97 2.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.4 tpt -80.42 87.93 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.3 t -123.78 133.73 24.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -28.45 25.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -126.38 81.38 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -89.18 77.79 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.2 t 44.07 35.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p -112.37 18.41 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 163.62 13.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.37 53.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -40.93 158.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -51.09 151.41 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -104.84 128.52 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -132.78 -55.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.38 150.61 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -166.74 140.3 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -160.54 178.48 9.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.73 140.68 15.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -118.78 88.6 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.85 -179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.451 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -133.6 89.52 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 11' ' ' THR . 7.2 t-20 -175.94 170.34 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.9 p 63.54 42.36 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.9 m -82.53 135.18 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -133.66 178.58 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 2.3 m-30 -103.25 -176.48 3.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 55.83 40.57 30.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.443 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 12.9 m -117.5 151.89 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 0.7 OUTLIER -109.92 153.99 42.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 111.176 179.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.57 68.38 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.419 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 10.6 t -76.36 134.03 70.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.716 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.14 30.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 4.9 m-20 -63.73 -11.31 25.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.18 23.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.64 139.75 21.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 64.17 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mmm -154.6 131.25 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.443 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 31.9 mttt -115.01 132.83 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.514 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -116.05 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 159.83 174.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 12.7 ttp180 -78.62 10.66 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.944 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -119.38 -46.88 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.33 8.33 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -63.7 -50.29 72.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.69 -25.11 29.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.65 -24.97 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' CYS . 41.9 t60 -80.24 -31.64 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.447 HD22 ' ND2' ' A' ' 21' ' ' ASN . 94.4 mt -84.55 8.86 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -98.22 -49.94 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.412 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.3 OUTLIER -156.42 28.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.451 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.7 t0 -124.51 -25.5 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' HIS . 11.8 t -71.89 126.0 91.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 47.1 mttt -83.53 23.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.501 ' NH2' ' CD1' ' A' ' 45' ' ' LEU . 0.0 OUTLIER -51.37 -23.73 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 64.6 61.18 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.501 ' CD1' ' NH2' ' A' ' 43' ' ' ARG . 10.3 mt -137.63 104.21 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.438 ' CG ' ' N ' ' A' ' 47' ' ' CYS . 9.5 tttt -105.89 159.89 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 41.2 t -76.48 142.41 40.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.82 19.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.422 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 39.1 m-85 -134.19 -75.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.43 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 29.5 p -73.54 -28.36 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 71.56 61.09 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.519 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 76.5 m -144.65 121.29 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.8 p30 -34.52 141.65 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 12.4 m-85 -148.61 -176.02 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -101.3 -178.85 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -66.54 -87.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.528 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.75 -25.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -76.38 -56.69 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.5 t80 -48.89 -21.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -56.34 3.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -76.15 -6.74 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.6 t60 -92.05 -15.51 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.74 -22.17 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.6 -26.48 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.5 mmt -113.36 31.48 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.5 t -61.13 137.6 94.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.804 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.81 -36.42 10.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.43 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 41.0 mm-40 -122.04 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 tt0 -87.38 70.79 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t -34.62 98.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 70.4 p -175.05 170.22 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.35 69.97 1.09 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -12.5 33.04 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.5 m -67.03 -30.77 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -109.15 155.03 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.477 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -162.41 160.01 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -108.31 160.51 15.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.54 -155.64 8.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -139.89 116.63 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -65.24 -69.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.48 131.31 5.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -116.45 69.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 mt -75.77 141.56 42.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -158.73 113.55 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m -72.4 -64.46 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 13' ' ' SER . 36.3 t -132.58 161.89 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.422 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 14.7 m -71.71 130.59 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 54.6 m-85 -132.8 -172.82 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -63.17 91.98 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -133.87 146.23 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.928 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.404 HG12 ' C ' ' A' ' 28' ' ' SER . 3.5 pt -121.05 149.11 50.55 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.59 69.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.42 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 5.3 t -79.58 134.03 58.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.59 33.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 3.9 m-20 -66.63 -10.97 51.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.06 22.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.27 139.73 22.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 64.26 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtp -152.87 132.7 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.3 mttm -117.25 115.48 25.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.51 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.15 -70.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER 160.68 -175.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 mmm-85 -88.32 20.19 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -134.07 -41.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -88.55 7.39 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.655 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -64.74 -50.01 66.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.915 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.655 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.77 -25.91 28.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.54 -21.69 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.455 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 32.9 t60 -84.11 -34.77 24.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.458 HD12 ' CD1' ' A' ' 32' ' ' LEU . 92.4 mt -80.52 6.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -95.08 -51.83 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.33 30.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.455 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 6.3 t0 -125.95 -26.94 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' HIS . 7.6 t -69.0 124.13 89.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.22 8.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 16.0 mmtm -93.54 22.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.439 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -49.17 -20.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 35.8 mmm-85 76.79 52.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -142.92 104.07 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.458 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.0 ttpm? -114.1 159.33 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 42.4 t -72.31 140.1 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.0 19.4 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -128.58 -74.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 p -74.14 -32.99 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.448 ' CA ' ' HD2' ' A' ' 46' ' ' LYS . . . 80.83 55.86 3.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.458 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 72.9 m -140.4 118.08 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' CYS . 43.0 p-10 -34.72 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 21.3 m-85 -147.47 169.55 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.439 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 1.4 m -92.96 -177.83 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.406 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -68.75 -78.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.73 -25.12 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -74.95 -64.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ALA . 12.2 t80 -36.06 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' ALA . 5.4 mm-40 -74.61 -49.84 20.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ALA . 45.5 m -71.64 -18.03 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -74.17 -22.79 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.33 128.6 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.25 -40.51 3.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.74 39.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.8 t -84.36 134.61 42.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -30.81 21.85 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -124.33 70.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -73.59 84.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 p -68.0 72.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 m -150.91 126.13 9.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.16 153.45 8.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.11 35.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.218 . . . . 0.0 112.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 t -118.28 139.83 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -162.33 173.63 13.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.495 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -143.61 144.35 31.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -115.15 175.37 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.49 -126.36 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t 57.07 36.54 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -53.39 -60.55 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 169.77 7.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 9.1 p-80 -164.31 152.22 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.459 ' CD1' ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -151.42 173.61 14.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -146.65 126.79 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 33.4 m -59.49 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.7 p -102.64 178.0 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.1 t -106.59 97.3 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 13' ' ' SER . 14.9 m-85 -149.23 130.1 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -79.33 95.18 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.541 ' CG1' ' C ' ' A' ' 27' ' ' LEU . 5.7 t -154.45 162.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.459 HD12 ' CD2' ' A' ' 32' ' ' LEU . 4.3 pt -106.04 139.75 20.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.25 53.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.443 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 6.4 t -65.29 134.17 95.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.707 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' CG ' HD11 ' A' ' 36' ' ' LEU . 53.5 Cg_endo -69.78 -16.11 37.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 29.0 m-20 -74.68 -10.18 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 84.27 22.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.26 140.14 22.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 64.71 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.78 128.84 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 69.3 mttt -112.23 130.01 56.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.557 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -113.43 -70.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 161.31 177.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 28' ' ' SER . 19.8 mtt180 -82.31 17.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 -44.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -88.28 14.81 8.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.666 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -65.03 -50.13 63.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.666 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 -40.02 5.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.91 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.561 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 48.5 t60 -97.05 -40.08 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.443 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 11.6 mt -75.96 -5.26 45.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -82.9 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.85 25.84 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.63 9.26 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.561 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.4 t -113.26 134.62 21.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.49 6.35 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -100.44 32.57 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 53.27 52.42 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 mt -115.25 106.32 13.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -110.24 146.69 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 t -81.8 125.84 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 48' ' ' GLU . 2.4 tp10 -76.03 -13.65 60.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 9.4 m-30 -81.82 -65.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.409 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 17.6 p -87.75 -50.0 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.49 41.71 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -122.8 169.48 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -93.29 143.83 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -148.81 -176.66 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -114.75 179.99 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.04 -64.81 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.34 -35.89 81.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -63.35 -54.88 30.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.87 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -52.12 -38.92 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -43.84 -57.11 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -70.6 -40.99 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' GLU . 53.2 t60 -62.77 -16.86 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.46 ' HG3' ' N ' ' A' ' 64' ' ' GLY . 8.7 tp10 -35.1 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.46 ' N ' ' HG3' ' A' ' 63' ' ' GLU . . . -82.32 -12.36 80.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -90.8 43.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 40.2 t -88.13 137.05 31.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.654 0.74 . . . . 0.0 110.819 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.19 15.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.409 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 2.7 mp0 -122.47 82.03 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.478 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 4.6 tm-20 -101.54 -57.64 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -89.12 -12.33 41.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -138.95 136.39 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.92 -176.67 12.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.33 34.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 p 49.66 27.37 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 m -68.14 174.67 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.528 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.44 129.27 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.18 163.68 29.88 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -99.4 168.22 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -99.01 -67.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.52 175.57 33.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.5 t60 -142.63 127.65 18.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 3.2 mp -150.18 135.79 18.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.43 171.01 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -113.16 135.76 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.39 147.64 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 m -132.29 65.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' ASN . 59.9 t80 -83.42 77.48 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER 34.79 38.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.459 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 7.5 m -70.72 178.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.46 HD13 ' CD ' ' A' ' 29' ' ' ARG . 7.5 pt -137.73 154.16 74.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.17 32.33 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 36.0 t -58.45 134.48 85.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -26.53 27.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.425 ' CG ' HD23 ' A' ' 36' ' ' LEU . 21.5 m-20 -64.95 -6.38 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.402 ' HG3' ' C ' ' A' ' 21' ' ' ASN . 16.4 mtp180 76.85 49.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.72 142.58 41.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 64.51 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtp -157.98 117.54 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.459 ' HB3' ' CG2' ' A' ' 16' ' ' VAL . 19.9 mttm -104.84 124.24 49.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.519 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -107.91 -70.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 159.38 177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.472 ' N ' ' OG ' ' A' ' 28' ' ' SER . 12.7 mmm180 -78.75 13.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -121.72 -46.61 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -88.72 7.72 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.646 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.1 tp -65.99 -50.29 53.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.646 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.75 -28.92 24.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.66 -22.19 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.501 ' CD2' HD23 ' A' ' 27' ' ' LEU . 52.2 t60 -78.7 -33.64 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.425 HD23 ' CG ' ' A' ' 21' ' ' ASN . 2.7 mt -83.04 -2.2 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.468 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tm0? -86.59 -58.85 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . 0.447 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.8 OUTLIER -150.25 29.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.448 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -132.53 4.05 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.5 t -102.08 134.15 20.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.81 6.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 44' ' ' ARG . 8.7 mmmt -92.78 24.1 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 54' ' ' PHE . 3.8 ptt180 -36.28 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' LYS . 34.3 mtp180 61.82 40.21 13.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.88 111.73 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -122.19 136.75 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.34 129.9 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.77 28.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 2.1 m-85 -131.3 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.6 p -85.0 -37.55 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.03 52.11 2.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.4 m -141.23 137.75 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.97 141.83 57.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 60.2 m-85 -143.5 175.4 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.447 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m -98.51 -175.03 2.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.468 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -72.95 -58.33 4.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -64.16 -22.21 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' N ' ' OE1' ' A' ' 57' ' ' GLU . . . -87.15 -55.47 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -45.62 -31.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.2 -52.18 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 t -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 49.8 t60 -91.89 -9.76 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.43 -31.99 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.76 -21.34 9.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 65' ' ' MET . 3.2 ttp -103.3 14.74 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 t -60.07 138.88 91.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.68 12.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 5.1 mt-30 -124.2 83.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -83.2 86.77 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 p 51.67 30.75 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 p -124.63 151.89 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.57 76.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.5 5.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 p -99.63 -175.96 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -129.77 158.22 40.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -123.55 171.49 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 12.3 m -127.36 2.53 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.99 89.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -85.02 160.99 19.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -171.19 -179.68 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.27 -179.17 47.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -143.93 139.3 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -102.49 129.37 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -130.98 173.97 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 t -135.1 158.16 45.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.85 -174.55 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -127.16 -8.88 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.41 169.22 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.9 107.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.418 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 5.0 m -145.71 144.75 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.449 ' CD1' HD21 ' A' ' 32' ' ' LEU . 5.6 pt -107.03 155.09 39.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.31 66.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.406 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 9.8 t -73.71 134.02 79.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.99 35.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.509 ' O ' ' CG ' ' A' ' 22' ' ' ARG . 3.8 m-20 -68.44 -10.59 56.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.0 22.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 p -97.05 139.62 21.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 64.1 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mmm -155.47 131.81 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.479 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 68.0 mttt -115.06 136.87 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.532 ' O ' ' CB ' ' A' ' 28' ' ' SER . 0.0 OUTLIER -120.15 -71.19 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER 158.63 175.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.45 ' N ' ' OG ' ' A' ' 28' ' ' SER . 31.4 mtp180 -79.02 11.7 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -119.52 -47.22 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -88.59 7.95 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.648 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.2 tp -63.41 -50.23 74.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.648 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 -22.14 32.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.55 -26.84 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' CYS . 40.9 t60 -78.08 -33.42 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.454 HD23 ' ND2' ' A' ' 21' ' ' ASN . 74.1 mt -82.94 9.17 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -98.66 -50.24 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 28.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.447 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.0 t0 -125.41 -25.38 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' HIS . 9.2 t -71.49 124.48 91.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.55 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 3.8 mmtp -84.22 18.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.45 ' CZ ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.21 -20.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.506 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 21.5 mmm180 76.9 55.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.627 ' CD1' ' CD1' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -122.84 104.9 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -127.51 137.49 52.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.71 158.06 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.45 -28.4 13.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -84.72 -70.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.461 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 15.9 p -73.71 -29.01 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.24 59.2 6.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 61.5 m -134.59 130.82 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -54.04 141.92 26.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 45.1 m-85 -148.76 166.75 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -97.68 -173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -71.15 -35.44 64.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.31 -26.12 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.366 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.99 -60.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.627 ' CD1' ' CD1' ' A' ' 45' ' ' LEU . 51.9 t80 -45.05 -30.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.54 -60.04 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -75.74 -5.13 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 58' ' ' ALA . 37.6 t60 -91.07 -13.24 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.87 -24.38 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.68 -23.8 7.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.2 mtp -120.27 86.26 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.8 136.94 19.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.43 22.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.0 mt-30 -124.55 77.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -81.99 -34.61 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 t -62.85 104.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -63.91 163.47 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.62 66.94 1.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 149.97 67.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.9 t -92.94 -27.72 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 t -147.42 167.37 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.443 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -144.61 127.4 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -45.42 108.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.91 140.3 4.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.8 p -61.21 138.64 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.4 m -36.99 122.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 157.63 28.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.02 142.69 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -60.04 164.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -91.13 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -153.04 171.17 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 p -141.64 175.24 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -79.34 172.81 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -174.12 164.46 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . 0.445 ' O ' ' CG1' ' A' ' 16' ' ' VAL . 21.4 t-20 -77.55 111.12 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.445 ' CG1' ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -175.31 148.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.412 ' CD1' HD21 ' A' ' 32' ' ' LEU . 25.6 pt -122.27 152.51 60.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 144.88 55.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.401 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 9.7 t -67.1 133.73 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.45 27.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 25.7 m-20 -63.91 -7.05 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 8.0 mtt85 78.78 48.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -126.0 140.5 37.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 64.56 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mtp -155.4 117.5 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.6 mttm -103.49 123.14 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.57 HD23 ' CD2' ' A' ' 35' ' ' HIS . 0.0 OUTLIER -108.28 -69.97 0.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 160.12 175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.423 ' N ' ' OG ' ' A' ' 28' ' ' SER . 66.3 mtp180 -80.14 12.9 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -121.21 -47.18 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.97 4.04 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.657 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -58.1 -50.21 89.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.657 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.8 -31.09 21.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.45 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CD2' HD23 ' A' ' 27' ' ' LEU . 50.3 t60 -85.35 -30.05 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.401 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.4 mt -85.69 -4.6 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -54.41 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 30.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -134.07 8.96 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.9 t -107.52 130.81 22.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.459 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 12.6 mmtm -96.46 31.44 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.444 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -54.85 -20.39 8.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.32 50.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . 0.407 HD11 ' CZ ' ' A' ' 43' ' ' ARG . 11.9 mt -145.04 104.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . 0.419 ' HZ2' ' N ' ' A' ' 53' ' ' ASP . 0.1 OUTLIER -124.21 156.9 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.851 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -55.79 147.0 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.58 22.72 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' OE2' ' A' ' 69' ' ' GLU . 82.0 m-85 -129.54 -56.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 p -94.87 2.34 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.08 59.58 2.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASP . 91.3 m -135.68 117.8 15.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' CYS . 14.2 p-10 -35.82 142.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -146.04 -175.98 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.444 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -106.98 -174.98 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.86 -60.52 3.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.38 -22.47 62.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.42 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.3 t80 -53.74 -23.93 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.57 -58.59 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -63.72 -10.6 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -84.12 -11.49 56.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.3 -10.37 57.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.8 -9.83 34.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttp -148.97 114.92 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 46.7 t -130.42 134.84 26.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.57 12.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -122.08 75.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 49' ' ' PHE . 3.8 tp10 -83.05 1.59 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t 57.97 30.91 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 m -88.06 -66.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.28 83.43 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.92 15.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 p -96.68 118.62 33.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -98.88 -175.06 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -127.01 130.09 49.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.85 -53.08 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -168.78 40.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -161.64 156.18 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -72.23 148.9 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.39 83.28 1.73 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -161.03 136.38 7.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' LEU . . . . . 0.464 ' CD2' ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -129.54 178.26 6.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' ASN . . . . . 0.464 ' N ' ' CD2' ' A' ' 9' ' ' LEU . 3.8 m120 -152.02 173.88 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -124.67 -19.56 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -39.0 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.48 117.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -96.4 173.12 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -95.6 95.03 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' VAL . . . . . 0.469 HG21 ' N ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -143.06 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.469 ' N ' HG21 ' A' ' 16' ' ' VAL . 19.2 pt -130.51 151.55 78.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.97 69.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.3 t -69.86 135.14 87.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.414 ' CD ' HD12 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 -22.93 31.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.5 m-20 -66.43 -7.26 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 5.9 mtp85 78.0 27.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.03 144.34 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 64.21 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 1.5 mmm -159.78 127.59 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.909 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' C ' ' CD1' ' A' ' 27' ' ' LEU . 19.2 mttp -118.7 143.59 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' LEU . . . . . 0.428 ' CD1' ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -121.34 -71.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 11.4 t 170.22 -177.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' N ' ' OG ' ' A' ' 28' ' ' SER . 56.7 mtp180 -87.94 24.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -138.27 -41.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.88 7.66 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.56 -49.1 72.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 -6.76 19.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.37 7.14 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.4 t60 -108.86 -39.16 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mt -77.05 -3.53 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.4 tt0 -85.14 -66.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.88 27.22 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' ASP . . . . . 0.57 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -133.66 10.26 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' CYS . . . . . 0.501 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 52.3 t -111.53 131.59 22.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.8 6.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -101.59 33.27 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -32.86 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 61.66 54.36 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -130.13 103.89 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.47 157.72 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.62 127.29 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.565 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 18.9 pt-20 -81.74 16.09 1.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' PHE . . . . . 0.565 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 9.3 m-85 -116.5 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' CYS . . . . . 0.45 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.7 p -93.4 -32.05 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.53 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.29 148.57 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.87 143.29 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 30.2 m-85 -144.86 145.13 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.43 146.22 42.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . 72.22 -176.59 40.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.97 -14.44 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.68 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.0 -31.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.56 -53.66 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -64.94 -11.83 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 47.5 t60 -83.12 -9.67 59.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.47 -25.33 65.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.49 -31.26 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 ttt -113.74 69.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 t -107.97 138.64 20.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -39.62 6.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.45 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 6.4 mp0 -121.15 71.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.29 -28.12 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.8 m -42.87 156.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -50.13 -52.6 33.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.97 155.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.7 -5.51 16.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.0 p 36.04 48.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -78.1 164.44 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.478 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 32' ' ' LEU . 30.6 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.89 44.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.7 t -81.81 135.36 48.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.76 -20.53 34.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.7 m-20 -68.5 -10.75 57.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.3 20.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -96.62 144.01 27.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 64.3 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.57 125.52 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.933 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.4 mttp -114.65 143.55 44.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.933 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.97 -70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 165.63 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 27.88 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 16.9 ptt-85 -142.8 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 48.9 m-20 -88.72 8.69 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.08 -50.13 70.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.7 -8.31 23.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.54 6.51 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.642 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 22.9 t-80 -109.8 -39.9 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.4 mt -78.14 -4.33 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -84.45 -62.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.68 28.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.642 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.61 9.81 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.462 ' N ' ' O ' ' A' ' 35' ' ' HIS . 48.7 t -107.47 133.14 20.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.6 mmtt -87.26 24.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.917 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.95 -21.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 25.3 mtp180 76.68 58.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.917 HD12 ' NH2' ' A' ' 43' ' ' ARG . 8.3 mt -143.97 104.03 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HZ2' ' C ' ' A' ' 51' ' ' GLY . 4.7 tttp -112.73 142.13 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.9 152.54 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.1 -7.25 56.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.03 -74.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 20.4 p -70.56 -19.98 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.526 ' C ' ' HZ2' ' A' ' 46' ' ' LYS . . . 53.13 65.19 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' ASP . 73.1 m -142.02 115.91 9.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.4 m-20 -36.32 140.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 16.0 m-85 -149.02 173.99 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.477 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -93.7 -172.11 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -81.82 -27.63 45.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -79.78 -21.15 44.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.51 -54.43 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.62 -23.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.9 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 p -80.97 -0.16 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.493 ' N ' ' O ' ' A' ' 58' ' ' ALA . 32.3 t-80 -94.93 -11.79 27.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.95 -27.36 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.14 -23.04 6.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -112.91 67.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.68 137.5 21.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -32.34 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 3.1 mp0 -121.95 65.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 pt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.08 66.46 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.0 t -70.32 134.69 86.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.69 27.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 4.4 m120 -62.23 -8.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp85 76.73 32.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.499 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 1.6 p -107.05 143.32 26.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 64.45 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 mmm -156.15 128.63 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.01 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.1 mtpt -116.78 142.54 46.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.01 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.8 -70.29 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 162.49 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -94.82 28.63 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -142.1 -43.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.93 10.25 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.68 -49.98 67.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.8 -8.19 22.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 5.87 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.619 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 16.0 t-80 -109.05 -43.89 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.7 mt -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' GLY . 7.2 tt0 -80.49 -71.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.89 26.94 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.619 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.73 8.91 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.1 t -113.61 136.69 22.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.81 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 23' ' ' CYS . 1.7 mptt -96.28 27.95 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' LYS . 17.4 ptt-85 -34.55 -35.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 42' ' ' LYS . 46.7 mtt180 57.34 44.42 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.98 111.78 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.2 158.26 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.29 127.17 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.31 17.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -120.83 -55.28 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.3 p -101.95 -20.48 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.26 50.28 6.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 8.4 m -123.42 149.22 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.12 138.14 31.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 52' ' ' CYS . 74.4 m-85 -148.99 177.38 9.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 35.2 m -106.83 179.34 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -73.86 -22.61 77.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -86.88 -27.13 23.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.72 -51.58 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.0 t80 -44.13 -29.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.93 -52.62 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.8 t -72.07 -16.69 62.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 61.2 t-80 -82.36 -22.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -77.86 131.02 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.33 -39.09 3.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 ttp -105.22 -75.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 t 60.2 138.71 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -35.32 12.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.979 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 10.8 mp0 -124.69 75.66 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.627 0.727 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.19 69.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.0 t -75.99 135.3 70.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.8 -19.84 35.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.528 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.7 m-20 -69.85 -11.56 60.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.89 21.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -97.0 143.11 25.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 64.43 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.391 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 120.49 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' C ' HD13 ' A' ' 27' ' ' LEU . 22.2 mttp -112.63 123.52 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.72 -70.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 169.01 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 28' ' ' SER . 27.8 ttp180 -91.1 27.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -142.41 -40.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.85 7.65 33.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.54 -49.23 71.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.946 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.8 -6.89 19.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.36 9.82 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.2 t60 -111.41 -37.69 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.7 mt -79.38 -5.97 55.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.32 -63.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.39 28.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -133.13 9.41 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.7 t -111.98 135.07 21.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.03 19.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -102.65 18.27 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -34.58 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' LYS . 21.1 mtp85 62.99 49.35 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 mt -118.19 119.06 33.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -135.84 147.04 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.3 131.45 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -82.43 17.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -124.32 -66.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.0 -21.86 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.14 54.82 6.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -128.04 123.21 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.37 141.89 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -148.67 165.66 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -92.19 177.99 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -77.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.21 -31.49 67.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -63.38 -59.17 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -41.28 -43.13 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.29 -39.25 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' ALA . 3.2 m -75.89 -22.33 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.55 -37.04 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -57.82 108.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.78 -38.08 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.9 mtp -107.65 24.2 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.07 138.07 97.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.97 15.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -125.26 79.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.763 HD11 ' C ' ' A' ' 28' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.86 68.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.6 t -71.66 135.27 83.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.7 -19.42 36.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.506 ' OD1' HD22 ' A' ' 36' ' ' LEU . 6.3 m-20 -69.95 -10.7 59.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.94 21.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.66 142.12 24.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 64.35 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.34 127.63 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.996 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.5 mttp -112.0 140.95 46.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.996 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -124.5 -70.33 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.763 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.1 t 159.33 175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG2' HD12 ' A' ' 17' ' ' ILE . 13.7 mmt180 -79.84 12.67 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -120.33 -46.92 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -91.48 11.13 25.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.673 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.4 tp -63.89 -49.99 72.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.84 -23.67 30.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.45 6.51 48.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.637 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 16.5 t-80 -104.45 -43.22 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.1 mt -74.09 -6.57 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.9 tp60 -79.73 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -139.83 20.46 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.637 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -124.35 10.12 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.503 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.4 t -113.92 134.76 22.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 11.7 mmtt -110.17 28.87 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -36.25 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 62.0 50.25 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.87 103.98 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 52' ' ' CYS . 6.6 ttpm? -111.56 154.96 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.13 157.31 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -29.14 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 69' ' ' GLU . 5.2 m-30 -74.36 -62.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.6 p -87.4 -46.99 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.02 54.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.536 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' C ' ' HG3' ' A' ' 46' ' ' LYS . 6.7 m -133.21 135.25 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -47.72 142.22 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.481 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 22.5 m-85 -148.9 171.69 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.5 m -91.71 -179.77 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -66.21 -77.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 6.6 pt-20 -54.38 -36.03 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 57' ' ' GLU . . . -63.25 -60.33 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 2.1 t80 -40.24 -40.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -51.02 71.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -70.23 -20.67 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.481 ' CE1' ' CE2' ' A' ' 54' ' ' PHE . 58.6 t-80 -83.31 -18.02 40.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.73 -28.42 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.29 -21.11 13.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.3 mmm -122.63 84.69 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 41.3 t -113.82 136.55 22.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.0 mm-40 -125.69 84.62 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.59 ' HG2' ' CE2' ' A' ' 49' ' ' PHE . 7.4 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.429 HG12 ' C ' ' A' ' 28' ' ' SER . 18.7 pt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.08 35.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.688 ' SG ' HD21 ' A' ' 36' ' ' LEU . 11.5 t -80.3 134.15 55.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.78 -25.4 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 22.7 m-20 -62.9 -11.49 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER 84.33 23.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.34 141.61 23.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 64.46 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.14 124.8 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.031 ' C ' HD13 ' A' ' 27' ' ' LEU . 29.2 mttt -114.36 143.82 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.031 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.22 -70.51 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.429 ' C ' HG12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 171.16 -167.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -95.26 23.33 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -141.98 -39.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -88.39 8.33 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -63.9 -50.1 71.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.93 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.72 -26.65 27.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.29 -7.5 58.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.646 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 13.2 t-80 -99.51 -34.21 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.688 HD21 ' SG ' ' A' ' 19' ' ' CYS . 29.1 mt -80.8 -6.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -82.86 -61.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.23 33.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.646 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -138.58 11.85 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.408 ' N ' ' O ' ' A' ' 35' ' ' HIS . 51.7 t -110.24 134.91 20.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.6 mmmt -88.84 27.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 1.036 ' NH2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.57 -19.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 13.6 mmm180 77.36 56.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 1.036 HD22 ' NH2' ' A' ' 43' ' ' ARG . 2.1 mp -143.28 104.09 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -119.16 149.2 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.73 134.3 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.54 21.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.24 -65.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.1 p -87.29 -17.59 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.37 57.93 11.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 87.2 m -143.23 120.23 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.43 153.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 38.2 m-85 -149.0 -177.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -102.96 -173.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.11 -64.89 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.22 -15.87 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -97.81 -65.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 45' ' ' LEU . 8.3 t80 -41.29 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 2.1 tt0 -81.04 -43.64 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ALA . 93.7 p -85.25 -8.03 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 43.6 t-80 -91.22 -18.71 23.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 2.3 pt-20 -78.31 46.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.37 -36.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 mtp -118.92 37.22 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.08 137.56 47.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.69 17.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -125.38 60.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.752 HD11 ' C ' ' A' ' 28' ' ' SER . 1.8 pp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.48 53.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.2 t -74.57 135.45 75.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -20.98 33.95 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 16.0 m-20 -70.61 -4.61 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER 74.73 36.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 146.0 34.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 64.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mmm -159.76 129.37 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.7 mttm -115.67 145.24 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -127.43 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.752 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.7 t 158.25 177.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . 6.0 mmm-85 -82.68 20.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -124.95 -48.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.59 7.15 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -57.49 -49.9 91.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.78 -21.6 33.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.44 8.58 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.643 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 16.4 t-80 -108.13 -44.17 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -73.77 -3.97 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.0 tt0 -83.13 -71.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.14 21.15 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.643 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -126.61 10.51 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.502 ' N ' ' O ' ' A' ' 35' ' ' HIS . 40.3 t -114.86 135.51 22.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.87 11.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ARG . 13.0 mmtt -106.09 33.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.06 -28.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' LYS . 6.8 mmm180 62.28 46.71 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.41 103.92 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 148.37 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.5 t -88.66 113.99 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.12 0.36 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 4.3 m-85 -96.53 -52.38 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.1 p -106.02 -28.0 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 84.07 39.89 9.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 89.9 m -125.16 119.62 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.47 145.98 4.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.589 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 51.6 m-85 -147.71 171.37 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.98 177.59 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -69.76 -37.31 75.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -82.92 -32.08 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -48.57 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -49.24 -44.56 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -49.05 -53.56 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -73.7 -26.86 60.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.589 ' CE1' ' CE2' ' A' ' 54' ' ' PHE . 53.3 t-80 -66.44 -20.32 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.25 130.79 43.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.43 -33.21 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' CYS . 11.0 ptm -94.13 -9.05 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' MET . 18.5 t -35.1 138.34 0.37 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.39 12.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 20.2 mt-30 -123.13 60.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.487 HD11 HD22 ' A' ' 32' ' ' LEU . 2.2 pt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.655 0.741 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.43 30.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 36' ' ' LEU . 35.4 t -52.05 134.49 39.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.78 -18.34 36.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -73.71 -7.15 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 77.02 36.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.02 145.28 31.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 64.97 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtp -158.89 116.63 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' C ' HD13 ' A' ' 27' ' ' LEU . 20.3 mttt -106.27 124.92 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.716 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -108.34 -70.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 159.8 176.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 52.6 mtp180 -80.03 13.57 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -120.24 -47.93 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -94.56 16.81 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.0 tp -65.97 -50.03 54.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.77 -35.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.91 -0.25 30.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.651 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 13.5 t-80 -100.73 -40.12 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -76.4 -6.46 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -79.88 -68.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -141.35 24.83 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.651 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -130.11 9.84 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.516 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.6 t -113.12 134.49 21.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -31.44 20.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -109.64 31.51 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -42.33 -24.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 21.8 mtm180 70.16 50.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -133.79 105.8 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -115.42 149.03 38.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 42.7 t -79.3 131.32 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 14.4 pt-20 -83.54 19.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 28.1 m-85 -124.86 -63.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.3 p -89.4 -8.4 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.04 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.9 m -143.08 130.53 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 150.04 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.666 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 23.5 m-85 -148.14 168.32 22.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.98 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.52 -80.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.17 -29.56 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -56.0 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -40.58 -32.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -58.0 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 p -66.93 -12.07 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.666 ' CE1' ' CE2' ' A' ' 54' ' ' PHE . 62.0 t-80 -93.19 -7.4 45.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.18 30.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.59 -37.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' A' ' 66' ' ' CYS . 3.4 ttt -109.5 -70.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 65' ' ' MET . 16.7 t 60.35 138.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.11 13.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.7 mp0 -123.51 83.45 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 29' ' ' ARG . 2.2 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.6 0.714 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.54 57.46 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 51.5 t -65.1 135.6 96.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.44 27.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 8.2 m-20 -63.89 -8.04 9.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp180 77.1 37.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -112.83 144.32 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 64.66 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.59 119.56 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.0 mttm -107.66 128.66 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -110.09 -70.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 t 159.73 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 75.7 mtm180 -81.63 16.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -123.24 -47.19 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -94.3 13.8 22.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.674 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -64.88 -50.0 65.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.78 -23.09 31.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.6 7.4 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.634 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 17.2 t-80 -105.55 -41.22 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt -77.3 -6.36 52.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -78.91 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -148.65 22.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.634 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -126.76 10.99 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.498 ' N ' ' O ' ' A' ' 35' ' ' HIS . 41.8 t -112.64 135.1 21.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.72 16.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 3.7 mmmt -105.27 30.85 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -46.61 -31.1 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 18.2 mtm180 75.46 46.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 mt -137.87 104.49 5.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 159.3 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.57 157.03 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -99.29 -29.91 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 11.1 m-30 -74.53 -71.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.2 p -80.26 -44.06 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.26 58.72 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 73.9 m -123.75 128.05 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.75 131.3 9.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 37.7 m-85 -145.43 173.48 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -93.21 -177.19 4.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.78 -27.85 40.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -91.21 -21.47 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -91.66 -52.45 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t80 -37.17 -44.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.36 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' ALA . 15.1 m -77.74 -15.1 59.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 79.1 t60 -83.71 -37.93 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.87 -19.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 -27.43 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.16 46.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.67 135.02 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.72 37.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -142.63 93.68 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.519 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 28' ' ' SER . 21.2 pt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.65 0.738 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.28 67.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 50.0 t -74.46 135.52 75.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.73 -21.34 33.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.58 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -67.94 -11.12 58.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.06 21.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -98.77 142.75 25.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.657 0.741 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.38 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mmm -157.59 127.95 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.995 ' C ' HD13 ' A' ' 27' ' ' LEU . 12.1 mttm -117.16 145.67 43.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.995 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.4 -70.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 169.41 -160.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -103.97 27.51 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -142.74 -39.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.88 7.2 35.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.683 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -63.11 -49.06 82.56 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.97 15.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.641 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 31.8 t-80 -95.15 -44.51 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.2 mt -76.16 -8.24 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -78.38 -61.06 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' ND1' ' HG3' ' A' ' 57' ' ' GLU . 4.3 p80 -151.8 24.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.641 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -129.59 14.34 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' HIS . 50.3 t -111.04 132.62 21.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.491 ' HG3' ' CB ' ' A' ' 23' ' ' CYS . 5.9 mmtp -87.03 19.89 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.581 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -47.0 -21.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 62.58 53.99 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' NH2' ' A' ' 43' ' ' ARG . 3.3 mt -144.17 103.88 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 159.43 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.3 t -55.58 139.72 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.67 19.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 2.2 m-85 -128.76 -69.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.7 p -84.58 5.04 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.03 61.15 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ASP . 95.8 m -129.72 118.35 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.1 p30 -34.93 137.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -148.72 -176.24 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -104.99 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.93 -84.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' ND1' ' A' ' 38' ' ' HIS . 2.6 mt-10 -46.3 -44.15 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.34 -57.33 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.2 t80 -44.22 -34.2 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.41 -58.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -61.88 -19.56 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -76.15 -22.0 55.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.45 -14.8 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -27.73 5.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.38 74.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.6 137.18 19.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.45 7.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -125.25 73.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' CD1' ' A' ' 49' ' ' PHE . 10.5 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 19.7 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.684 0.754 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.47 49.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' A' ' 36' ' ' LEU . 47.9 t -81.27 135.09 50.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.55 37.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.789 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.0 m-20 -74.19 -7.66 53.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.3 ptp180 81.07 18.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -92.24 139.75 24.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 64.35 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.385 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 mmm -154.44 136.29 14.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.3 mttm -119.27 136.56 54.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.82 -71.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER 158.38 175.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' CG ' HD13 ' A' ' 17' ' ' ILE . 13.3 mtp85 -78.78 10.51 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -118.72 -46.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.63 10.61 22.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.667 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.4 tp -65.15 -49.81 64.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 -27.28 26.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.285 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.47 -23.36 27.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 38.6 t60 -81.6 -36.1 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.789 HD22 ' OD1' ' A' ' 21' ' ' ASN . 56.2 mt -80.2 6.69 11.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 56' ' ' GLY . 20.2 tt0 -94.98 -58.67 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 2.7 p-80 -149.63 29.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -124.75 -22.53 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 35.3 t -74.29 129.5 84.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.9 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.7 mmtm -82.0 17.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -38.39 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 36.4 mtp85 46.66 56.62 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.59 115.93 22.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.21 144.82 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.9 t -66.63 135.89 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 2.5 pt-20 -81.41 15.02 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.517 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 73.3 m-85 -126.92 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 31.8 p -92.25 9.14 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' CYS . . . 37.37 60.48 1.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.5 m -132.33 142.44 49.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.82 139.93 57.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 33.5 m-85 -148.96 177.28 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -104.42 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -75.11 -65.31 2.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.02 -28.9 69.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.91 -55.17 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.8 t80 -45.55 -40.21 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.17 -53.67 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -68.86 -23.2 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 61.8 t-80 -72.59 -22.46 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.76 -30.01 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.59 -21.14 22.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 ptp -124.75 111.14 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.0 t -139.45 137.0 18.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -34.94 13.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.74 67.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.892 HD11 HD22 ' A' ' 32' ' ' LEU . 32.3 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.54 65.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.52 135.03 86.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -19.53 35.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.527 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.6 m-20 -69.03 -10.85 59.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.86 22.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.12 140.88 22.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 64.42 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtp -155.31 117.05 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.686 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.7 mttt -106.51 121.92 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.09 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.6 t 160.04 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.622 ' CD ' HD13 ' A' ' 17' ' ' ILE . 17.9 mmt180 -80.8 15.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -122.25 -47.81 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -88.66 5.18 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 17' ' ' ILE . 6.7 tp -60.27 -50.41 86.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.8 -22.37 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.58 24.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 21.0 t60 -86.74 -38.66 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.527 HD22 ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -78.82 6.51 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HG3' ' CG ' ' A' ' 38' ' ' HIS . 6.2 tp60 -96.35 -48.7 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -156.0 32.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 2.6 t0 -128.93 -29.23 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 11.2 t -66.95 128.61 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.5 26.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.635 2.223 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 21.2 mttp -109.11 26.26 10.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LYS . 7.9 ptt-85 -37.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' LYS . 32.1 mtp85 61.83 52.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 15.2 mt -124.34 104.44 8.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 3.1 tmmm? -129.98 151.7 50.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 42.0 t -90.27 134.33 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.94 20.21 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -123.83 -75.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p -75.04 -26.41 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.97 56.62 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 57.2 m -140.45 129.89 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.84 153.82 23.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 60.3 m-85 -148.69 -175.96 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.685 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 5.2 m -114.65 155.32 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' LEU . . . -43.82 -32.15 2.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -87.89 -39.36 14.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -68.53 -58.13 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' ALA . 54.8 t80 -36.29 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -74.01 -46.76 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t -73.21 -15.03 61.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 14.7 t60 -84.62 -54.36 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.57 139.48 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.44 -17.35 40.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ttt -126.07 -72.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.346 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.94 134.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 -31.45 20.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' GLU . 36.1 mm-40 -122.41 -13.39 8.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLN . 9.8 tp10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 32' ' ' LEU . 4.9 pt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 153.88 68.13 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.44 135.6 84.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.59 33.11 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.604 ' OD1' HD22 ' A' ' 36' ' ' LEU . 2.7 m-20 -67.3 -11.59 57.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 84.33 22.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.73 142.82 25.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 64.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.282 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmm -157.24 127.08 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.92 ' C ' HD13 ' A' ' 27' ' ' LEU . 14.3 mttp -113.93 142.39 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.85 -69.93 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 163.06 174.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' OG ' ' A' ' 28' ' ' SER . 42.8 mtm180 -78.69 10.62 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -119.55 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.51 9.97 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -63.22 -50.5 74.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.79 -20.19 35.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.17 6.56 48.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 31.2 t-80 -106.02 -40.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' OD1' ' A' ' 21' ' ' ASN . 1.4 mt -76.86 -3.85 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 45.1 tt0 -84.58 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -147.29 27.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.478 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.07 7.57 4.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.4 t -105.23 130.76 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 33.6 mmtt -83.37 23.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.631 ' CZ ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -52.22 -21.89 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.5 65.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 12.5 mt -145.2 103.86 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 53' ' ' ASP . 7.8 tptt -101.66 159.99 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.6 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.8 t -89.07 111.12 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -10.22 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -87.3 -66.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.6 -42.23 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.07 56.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 56.1 m -145.62 123.18 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 4.8 p-10 -34.53 140.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.808 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 13.5 m-85 -149.05 -179.9 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -98.45 -172.59 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -78.0 -79.13 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -21.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.59 -57.28 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.4 t80 -36.99 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mm-40 -85.31 -59.97 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.4 p -68.99 -2.08 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.808 ' CE1' ' CE2' ' A' ' 54' ' ' PHE . 3.0 t-80 -93.9 -4.52 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.45 -31.35 67.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.41 -33.25 20.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.444 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -93.17 -11.0 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.41 ' C ' ' O ' ' A' ' 65' ' ' MET . 43.8 t -36.77 134.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.66 21.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -131.55 74.09 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HD22 ' A' ' 32' ' ' LEU . 3.9 pt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.636 0.731 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.06 64.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.23 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 53.9 t -70.77 134.46 86.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.77 -27.22 26.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.546 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -61.64 -8.75 4.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 4.8 mtp180 78.58 43.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 1.2 p -121.77 144.58 41.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 64.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.14 119.79 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.671 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.5 mttp -111.63 127.99 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.6 -68.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 162.58 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -87.52 16.9 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -123.93 -47.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -88.46 4.12 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -59.1 -50.37 88.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.83 -10.03 27.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.273 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 6.65 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.6 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 23.2 t-80 -107.36 -38.29 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' OD1' ' A' ' 21' ' ' ASN . 3.1 mt -81.0 -4.13 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.1 -55.94 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.85 25.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.6 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -130.71 10.56 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.3 t -109.65 129.44 23.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.76 3.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.27 . . . . 0.0 112.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.479 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.4 mmpt? -85.04 17.09 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.05 -19.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 24.8 mmm180 77.19 52.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 43' ' ' ARG . 11.1 mt -145.07 104.1 3.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 8.6 tttt -116.53 149.36 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.7 136.84 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.35 13.58 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -123.42 -74.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.6 p -76.39 -12.6 60.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.475 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 54.95 60.05 9.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 55.5 m -140.85 113.93 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' CYS . 20.4 m-20 -35.33 147.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 27.5 m-85 -148.13 170.81 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.48 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -95.13 -171.94 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -73.03 -58.05 4.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.41 -15.95 63.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.81 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' ALA . 13.9 t80 -37.6 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -77.12 -61.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -60.94 -14.91 25.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.5 t-80 -87.14 -4.78 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -57.3 122.44 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.96 -41.97 2.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.4 tpt -80.42 87.93 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.3 t -123.78 133.73 24.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -28.45 25.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -126.38 81.38 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.588 0.708 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.57 68.38 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' HD21 ' A' ' 36' ' ' LEU . 10.6 t -76.36 134.03 70.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.716 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.14 30.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.782 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.9 m-20 -63.73 -11.31 25.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.18 23.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.64 139.75 21.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 64.17 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mmm -154.6 131.25 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.889 ' C ' HD13 ' A' ' 27' ' ' LEU . 31.9 mttt -115.01 132.83 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.889 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.05 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 159.83 174.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HA ' HD11 ' A' ' 17' ' ' ILE . 12.7 ttp180 -78.62 10.66 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -119.38 -46.88 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.33 8.33 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -63.7 -50.29 72.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.69 -25.11 29.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.65 -24.97 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' CYS . 41.9 t60 -80.24 -31.64 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.782 HD22 ' OD1' ' A' ' 21' ' ' ASN . 94.4 mt -84.55 8.86 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -98.22 -49.94 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CB ' ' H ' ' A' ' 56' ' ' GLY . 1.7 p-80 -156.42 28.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.462 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.7 t0 -124.51 -25.5 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' HIS . 11.8 t -71.89 126.0 91.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 47.1 mttt -83.53 23.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.796 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -51.37 -23.73 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 64.6 61.18 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD12 ' NH2' ' A' ' 43' ' ' ARG . 10.3 mt -137.63 104.21 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 9.5 tttt -105.89 159.89 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 41.2 t -76.48 142.41 40.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.82 19.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 39.1 m-85 -134.19 -75.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 29.5 p -73.54 -28.36 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 71.56 61.09 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.519 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 76.5 m -144.65 121.29 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.8 p30 -34.52 141.65 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.54 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 12.4 m-85 -148.61 -176.02 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -101.3 -178.85 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' CB ' ' A' ' 38' ' ' HIS . . . -66.54 -87.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.528 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.75 -25.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -76.38 -56.69 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.5 t80 -48.89 -21.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -56.34 3.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -76.15 -6.74 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.447 ' NE2' ' CZ ' ' A' ' 54' ' ' PHE . 9.1 t-80 -92.05 -15.51 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.74 -22.17 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.6 -26.48 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.5 mmt -113.36 31.48 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.5 t -61.13 137.6 94.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.804 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.81 -36.42 10.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 41.0 mm-40 -122.04 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 49' ' ' PHE . 32.0 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG12 ' C ' ' A' ' 28' ' ' SER . 3.5 pt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.646 0.736 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.59 69.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.736 ' SG ' HD21 ' A' ' 36' ' ' LEU . 5.3 t -79.58 134.03 58.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.59 33.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.732 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.9 m-20 -66.63 -10.97 51.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.06 22.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.27 139.73 22.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 64.26 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtp -152.87 132.7 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' C ' HD13 ' A' ' 27' ' ' LEU . 25.3 mttm -117.25 115.48 25.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.15 -70.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER 160.68 -175.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 mmm-85 -88.32 20.19 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -134.07 -41.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -88.55 7.39 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -64.74 -50.01 66.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.915 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.77 -25.91 28.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.54 -21.69 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 32.9 t60 -84.11 -34.77 24.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD21 ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -80.52 6.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -95.08 -51.83 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.33 30.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 6.3 t0 -125.95 -26.94 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' HIS . 7.6 t -69.0 124.13 89.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.22 8.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 16.0 mmtm -93.54 22.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -49.17 -20.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 35.8 mmm-85 76.79 52.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 13.1 mt -142.92 104.07 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.0 ttpm? -114.1 159.33 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 42.4 t -72.31 140.1 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.0 19.4 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -128.58 -74.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 p -74.14 -32.99 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' CA ' ' HD2' ' A' ' 46' ' ' LYS . . . 80.83 55.86 3.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 72.9 m -140.4 118.08 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' CYS . 43.0 p-10 -34.72 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 21.3 m-85 -147.47 169.55 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.448 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 1.4 m -92.96 -177.83 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -68.75 -78.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.73 -25.12 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -74.95 -64.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ALA . 12.2 t80 -36.06 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' ALA . 5.4 mm-40 -74.61 -49.84 20.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ALA . 45.5 m -71.64 -18.03 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -74.17 -22.79 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.33 128.6 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.25 -40.51 3.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.74 39.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.8 t -84.36 134.61 42.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -30.81 21.85 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -124.33 70.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 28' ' ' SER . 4.3 pt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.624 0.726 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.25 53.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.642 ' SG ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -65.29 134.17 95.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.707 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -16.11 37.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 29.0 m-20 -74.68 -10.18 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 84.27 22.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.26 140.14 22.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 64.71 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.78 128.84 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.847 ' C ' HD13 ' A' ' 27' ' ' LEU . 69.3 mttt -112.23 130.01 56.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -113.43 -70.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 161.31 177.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 28' ' ' SER . 19.8 mtt180 -82.31 17.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 -44.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -88.28 14.81 8.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -65.03 -50.13 63.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 -40.02 5.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.91 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.644 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 14.0 t-80 -97.05 -40.08 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' SG ' ' A' ' 19' ' ' CYS . 11.6 mt -75.96 -5.26 45.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -82.9 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.85 25.84 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.644 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.63 9.26 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.501 ' N ' ' O ' ' A' ' 35' ' ' HIS . 41.4 t -113.26 134.62 21.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.49 6.35 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -100.44 32.57 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 53.27 52.42 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 mt -115.25 106.32 13.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -110.24 146.69 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 t -81.8 125.84 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 48' ' ' GLU . 2.4 tp10 -76.03 -13.65 60.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 9.4 m-30 -81.82 -65.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 17.6 p -87.75 -50.0 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.49 41.71 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -122.8 169.48 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -93.29 143.83 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -148.81 -176.66 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 1.2 m -114.75 179.99 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.04 -64.81 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.34 -35.89 81.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -63.35 -54.88 30.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -52.12 -38.92 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -43.84 -57.11 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -70.6 -40.99 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' GLU . 58.8 t-80 -62.77 -16.86 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 64' ' ' GLY . 8.7 tp10 -35.1 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' N ' ' HG3' ' A' ' 63' ' ' GLU . . . -82.32 -12.36 80.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -90.8 43.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 40.2 t -88.13 137.05 31.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.654 0.74 . . . . 0.0 110.819 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.19 15.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.8 mp0 -122.47 82.03 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD22 ' A' ' 32' ' ' LEU . 7.5 pt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.17 32.33 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 36' ' ' LEU . 36.0 t -58.45 134.48 85.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -26.53 27.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 21.5 m-20 -64.95 -6.38 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 16.4 mtp180 76.85 49.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.72 142.58 41.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 64.51 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtp -157.98 117.54 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.9 mttm -104.84 124.24 49.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -107.91 -70.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 159.38 177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.532 ' CD ' HD13 ' A' ' 17' ' ' ILE . 12.7 mmm180 -78.75 13.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -121.72 -46.61 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -88.72 7.72 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.1 tp -65.99 -50.29 53.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.75 -28.92 24.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.66 -22.19 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' CYS . 14.2 t-80 -78.7 -33.64 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -83.04 -2.2 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tm0? -86.59 -58.85 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.8 OUTLIER -150.25 29.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -132.53 4.05 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.5 t -102.08 134.15 20.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.81 6.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 44' ' ' ARG . 8.7 mmmt -92.78 24.1 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 54' ' ' PHE . 3.8 ptt180 -36.28 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' LYS . 34.3 mtp180 61.82 40.21 13.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.88 111.73 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -122.19 136.75 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.34 129.9 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.77 28.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 2.1 m-85 -131.3 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.6 p -85.0 -37.55 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.03 52.11 2.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 16.4 m -141.23 137.75 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.97 141.83 57.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.671 ' CE2' ' CE1' ' A' ' 62' ' ' HIS . 60.2 m-85 -143.5 175.4 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m -98.51 -175.03 2.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -72.95 -58.33 4.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -64.16 -22.21 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' N ' ' OE1' ' A' ' 57' ' ' GLU . . . -87.15 -55.47 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -45.62 -31.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.2 -52.18 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 t -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.671 ' CE1' ' CE2' ' A' ' 54' ' ' PHE . 33.8 t-80 -91.89 -9.76 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.43 -31.99 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.76 -21.34 9.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 65' ' ' MET . 3.2 ttp -103.3 14.74 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 t -60.07 138.88 91.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.68 12.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 5.1 mt-30 -124.2 83.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 32' ' ' LEU . 5.6 pt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.31 66.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.8 t -73.71 134.02 79.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.99 35.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.8 m-20 -68.44 -10.59 56.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.0 22.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 p -97.05 139.62 21.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 64.1 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mmm -155.47 131.81 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.983 ' C ' HD13 ' A' ' 27' ' ' LEU . 68.0 mttt -115.06 136.87 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.15 -71.19 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER 158.63 175.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 17' ' ' ILE . 31.4 mtp180 -79.02 11.7 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -119.52 -47.22 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -88.59 7.95 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.2 tp -63.41 -50.23 74.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 -22.14 32.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.55 -26.84 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' CYS . 40.9 t60 -78.08 -33.42 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD22 ' OD1' ' A' ' 21' ' ' ASN . 74.1 mt -82.94 9.17 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -98.66 -50.24 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -155.64 28.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.0 t0 -125.41 -25.38 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' HIS . 9.2 t -71.49 124.48 91.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.55 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 3.8 mmtp -84.22 18.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.21 -20.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD22 ' A' ' 45' ' ' LEU . 21.5 mmm180 76.9 55.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' CG ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -122.84 104.9 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -127.51 137.49 52.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.71 158.06 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.45 -28.4 13.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -84.72 -70.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 15.9 p -73.71 -29.01 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.24 59.2 6.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 61.5 m -134.59 130.82 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -54.04 141.92 26.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 45.1 m-85 -148.76 166.75 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -97.68 -173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -71.15 -35.44 64.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.31 -26.12 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.366 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.99 -60.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.866 ' CG ' HD12 ' A' ' 45' ' ' LEU . 51.9 t80 -45.05 -30.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.54 -60.04 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -75.74 -5.13 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 58' ' ' ALA . 59.5 t-80 -91.07 -13.24 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.87 -24.38 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.68 -23.8 7.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.2 mtp -120.27 86.26 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.8 136.94 19.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.43 22.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.0 mt-30 -124.55 77.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.862 HD11 HD22 ' A' ' 32' ' ' LEU . 25.6 pt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 144.88 55.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.7 t -67.1 133.73 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.45 27.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 25.7 m-20 -63.91 -7.05 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 8.0 mtt85 78.78 48.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -126.0 140.5 37.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 64.56 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mtp -155.4 117.5 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.711 ' C ' HD13 ' A' ' 27' ' ' LEU . 13.6 mttm -103.49 123.14 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.28 -69.97 0.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 160.12 175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.581 ' CG ' HD13 ' A' ' 17' ' ' ILE . 66.3 mtp180 -80.14 12.9 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -121.21 -47.18 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.97 4.04 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.862 HD22 HD11 ' A' ' 17' ' ' ILE . 6.5 tp -58.1 -50.21 89.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.8 -31.09 21.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.45 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.531 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 12.9 t-80 -85.35 -30.05 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.4 mt -85.69 -4.6 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -54.41 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 30.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.531 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -134.07 8.96 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.9 t -107.52 130.81 22.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.459 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 12.6 mmtm -96.46 31.44 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.85 -20.39 8.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.32 50.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD13 ' NH2' ' A' ' 43' ' ' ARG . 11.9 mt -145.04 104.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.21 156.9 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -55.79 147.0 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.58 22.72 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' OE2' ' A' ' 69' ' ' GLU . 82.0 m-85 -129.54 -56.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 p -94.87 2.34 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.08 59.58 2.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASP . 91.3 m -135.68 117.8 15.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' CYS . 14.2 p-10 -35.82 142.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -146.04 -175.98 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -106.98 -174.98 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.86 -60.52 3.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.38 -22.47 62.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.42 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.3 t80 -53.74 -23.93 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.57 -58.59 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -63.72 -10.6 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 53.9 t-80 -84.12 -11.49 56.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.3 -10.37 57.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.8 -9.83 34.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttp -148.97 114.92 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 46.7 t -130.42 134.84 26.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.57 12.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -122.08 75.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 49' ' ' PHE . 3.8 tp10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.97 69.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.3 t -69.86 135.14 87.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 -22.93 31.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.5 m-20 -66.43 -7.26 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 5.9 mtp85 78.0 27.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.03 144.34 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 64.21 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 25' ' ' MET . 1.5 mmm -159.78 127.59 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 26' ' ' LYS . . . . . 0.936 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.2 mttp -118.7 143.59 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 27' ' ' LEU . . . . . 0.936 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.34 -71.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 28' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 11.4 t 170.22 -177.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' N ' ' OG ' ' A' ' 28' ' ' SER . 56.7 mtp180 -87.94 24.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -138.27 -41.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.88 7.66 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.56 -49.1 72.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 -6.76 19.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.37 7.14 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' HIS . . . . . 0.65 ' CD2' ' O ' ' A' ' 39' ' ' ASP . 13.5 t-80 -108.86 -39.16 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mt -77.05 -3.53 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.4 tt0 -85.14 -66.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -140.88 27.22 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' ASP . . . . . 0.65 ' O ' ' CD2' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -133.66 10.26 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' CYS . . . . . 0.48 ' N ' ' O ' ' A' ' 35' ' ' HIS . 52.3 t -111.53 131.59 22.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.8 6.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -101.59 33.27 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -32.86 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 61.66 54.36 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -130.13 103.89 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.47 157.72 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.62 127.29 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 18.9 pt-20 -81.74 16.09 1.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 9.3 m-85 -116.5 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.7 p -93.4 -32.05 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.53 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.29 148.57 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.87 143.29 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 30.2 m-85 -144.86 145.13 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.43 146.22 42.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . 72.22 -176.59 40.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.97 -14.44 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.68 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.0 -31.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.56 -53.66 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -64.94 -11.83 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 47.5 t60 -83.12 -9.67 59.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.47 -25.33 65.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.49 -31.26 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 ttt -113.74 69.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 t -107.97 138.64 20.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -39.62 6.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 6.4 mp0 -121.15 71.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -128.46 95.96 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -146.0 140.1 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.03 -43.7 1.31 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 59.1 55.0 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 p -153.94 177.8 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.87 144.77 11.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -125.48 164.34 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -50.48 -177.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -146.37 135.7 22.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -93.68 178.78 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.8 m -103.19 79.25 1.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.2 p -56.29 161.85 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -138.4 154.95 48.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 45.31 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 17' ' ' ILE . 1.1 m -134.71 -177.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 32' ' ' LEU . 30.6 pt -130.1 147.31 65.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.89 44.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.7 t -81.81 135.36 48.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.76 -20.53 34.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.7 m-20 -68.5 -10.75 57.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.3 20.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -96.62 144.01 27.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 64.3 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.57 125.52 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.933 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.4 mttp -114.65 143.55 44.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.933 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.97 -70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 165.63 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 27.88 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 16.9 ptt-85 -142.8 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 48.9 m-20 -88.72 8.69 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.08 -50.13 70.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.7 -8.31 23.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.54 6.51 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 67.0 t60 -109.8 -39.9 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.4 mt -78.14 -4.33 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -84.45 -62.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.68 28.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.61 9.81 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 48.7 t -107.47 133.14 20.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.6 mmtt -87.26 24.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.917 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.95 -21.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 25.3 mtp180 76.68 58.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.917 HD12 ' NH2' ' A' ' 43' ' ' ARG . 8.3 mt -143.97 104.03 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HZ2' ' C ' ' A' ' 51' ' ' GLY . 4.7 tttp -112.73 142.13 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.9 152.54 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.1 -7.25 56.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.03 -74.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 20.4 p -70.56 -19.98 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.526 ' C ' ' HZ2' ' A' ' 46' ' ' LYS . . . 53.13 65.19 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' ASP . 73.1 m -142.02 115.91 9.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.4 m-20 -36.32 140.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 16.0 m-85 -149.02 173.99 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.477 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -93.7 -172.11 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -81.82 -27.63 45.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -79.78 -21.15 44.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.51 -54.43 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.62 -23.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.9 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 p -80.97 -0.16 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 19.2 t60 -94.93 -11.79 27.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.95 -27.36 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.14 -23.04 6.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -112.91 67.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.68 137.5 21.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -32.34 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 3.1 mp0 -121.95 65.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.76 -35.35 80.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 t -118.73 -68.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -45.97 128.42 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.85 -162.07 11.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 159.2 54.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.248 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -65.54 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -112.85 97.03 6.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.436 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -149.71 -179.55 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -118.43 29.18 7.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -174.82 25.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.89 67.31 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 0.0 110.823 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -110.76 135.18 51.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.83 -132.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 34.1 t-80 49.9 47.11 23.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.89 157.03 10.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -147.56 155.42 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -45.36 109.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 m -159.15 128.82 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 m -60.99 90.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -92.63 114.78 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -115.72 128.64 56.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.925 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.32 173.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 pt -131.82 150.5 76.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.08 66.46 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.0 t -70.32 134.69 86.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.69 27.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.406 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 4.4 m120 -62.23 -8.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp85 76.73 32.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.499 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 1.6 p -107.05 143.32 26.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 64.45 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 mmm -156.15 128.63 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.01 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.1 mtpt -116.78 142.54 46.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.01 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.8 -70.29 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 162.49 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -94.82 28.63 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -142.1 -43.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.93 10.25 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.68 -49.98 67.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.8 -8.19 22.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 5.87 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.1 t60 -109.05 -43.89 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.7 mt -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' GLY . 7.2 tt0 -80.49 -71.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.89 26.94 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.73 8.91 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 43.1 t -113.61 136.69 22.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.81 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 23' ' ' CYS . 1.7 mptt -96.28 27.95 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' LYS . 17.4 ptt-85 -34.55 -35.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 42' ' ' LYS . 46.7 mtt180 57.34 44.42 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.98 111.78 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.2 158.26 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.29 127.17 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.31 17.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -120.83 -55.28 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.3 p -101.95 -20.48 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.26 50.28 6.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 8.4 m -123.42 149.22 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.12 138.14 31.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 52' ' ' CYS . 74.4 m-85 -148.99 177.38 9.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 35.2 m -106.83 179.34 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -73.86 -22.61 77.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -86.88 -27.13 23.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.72 -51.58 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.0 t80 -44.13 -29.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.93 -52.62 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.8 t -72.07 -16.69 62.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' HD2' ' A' ' 67' ' ' PRO . 38.0 t60 -82.36 -22.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -77.86 131.02 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.33 -39.09 3.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 ttp -105.22 -75.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 t 60.2 138.71 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.465 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 53.3 Cg_endo -69.81 -35.32 12.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 10.8 mp0 -124.69 75.66 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -72.68 -23.72 60.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -118.07 -178.39 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.3 p -79.57 104.17 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.94 -174.44 1.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 75.76 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 m -116.08 -32.98 5.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -125.61 142.59 51.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -106.6 109.71 21.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 t 56.6 40.17 29.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.31 140.24 25.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -157.64 152.79 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.839 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -118.87 164.51 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.22 75.5 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -77.33 173.3 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -94.37 127.06 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.504 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.7 t30 -102.21 86.04 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -71.07 107.66 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -119.34 176.41 5.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.4 p -126.76 108.89 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' O ' HG13 ' A' ' 16' ' ' VAL . 13.4 t80 -168.15 139.7 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -57.38 135.75 56.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 14' ' ' PHE . 10.2 m -134.55 -176.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 pt -132.72 152.08 79.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.19 69.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.0 t -75.99 135.3 70.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.8 -19.84 35.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.528 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.7 m-20 -69.85 -11.56 60.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.89 21.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -97.0 143.11 25.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 64.43 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.391 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 120.49 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' C ' HD13 ' A' ' 27' ' ' LEU . 22.2 mttp -112.63 123.52 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.72 -70.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 169.01 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 28' ' ' SER . 27.8 ttp180 -91.1 27.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -142.41 -40.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.85 7.65 33.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.54 -49.23 71.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.946 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.8 -6.89 19.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.36 9.82 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.2 t60 -111.41 -37.69 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.7 mt -79.38 -5.97 55.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.32 -63.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.39 28.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -133.13 9.41 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.7 t -111.98 135.07 21.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.03 19.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -102.65 18.27 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -34.58 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' LYS . 21.1 mtp85 62.99 49.35 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 mt -118.19 119.06 33.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -135.84 147.04 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.3 131.45 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -82.43 17.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -124.32 -66.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.0 -21.86 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.14 54.82 6.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -128.04 123.21 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.37 141.89 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -148.67 165.66 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -92.19 177.99 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -77.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.21 -31.49 67.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -63.38 -59.17 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -41.28 -43.13 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.29 -39.25 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' ALA . 3.2 m -75.89 -22.33 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.55 -37.04 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -57.82 108.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.78 -38.08 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.9 mtp -107.65 24.2 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.07 138.07 97.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.97 15.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -125.26 79.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.07 0.86 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -151.58 155.26 38.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -54.64 162.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 146.47 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.2 103.48 15.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -99.24 122.7 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.494 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -84.75 63.3 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 p -135.37 168.8 18.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 154.72 44.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -121.7 -179.43 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -86.03 168.15 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.2 -179.56 0.65 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -73.21 176.16 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.67 164.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -70.35 -177.38 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -75.87 162.92 27.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -60.94 -174.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -125.89 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 35.9 m-85 -100.86 134.78 43.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 54.99 30.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.05 166.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.892 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -122.87 151.06 60.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.86 68.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.6 t -71.66 135.27 83.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.7 -19.42 36.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.506 ' OD1' HD22 ' A' ' 36' ' ' LEU . 6.3 m-20 -69.95 -10.7 59.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.94 21.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.66 142.12 24.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 64.35 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.34 127.63 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.996 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.5 mttp -112.0 140.95 46.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.996 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -124.5 -70.33 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.763 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.1 t 159.33 175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG2' HD12 ' A' ' 17' ' ' ILE . 13.7 mmt180 -79.84 12.67 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -120.33 -46.92 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -91.48 11.13 25.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.673 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.4 tp -63.89 -49.99 72.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.84 -23.67 30.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.45 6.51 48.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.7 t60 -104.45 -43.22 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.1 mt -74.09 -6.57 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.9 tp60 -79.73 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 5.3 p-80 -139.83 20.46 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -124.35 10.12 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.4 t -113.92 134.76 22.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 11.7 mmtt -110.17 28.87 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -36.25 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 62.0 50.25 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.87 103.98 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 52' ' ' CYS . 6.6 ttpm? -111.56 154.96 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.13 157.31 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -29.14 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 69' ' ' GLU . 5.2 m-30 -74.36 -62.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.6 p -87.4 -46.99 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.02 54.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.536 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' C ' ' HG3' ' A' ' 46' ' ' LYS . 6.7 m -133.21 135.25 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -47.72 142.22 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 22.5 m-85 -148.9 171.69 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.5 m -91.71 -179.77 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -66.21 -77.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 6.6 pt-20 -54.38 -36.03 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 57' ' ' GLU . . . -63.25 -60.33 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 2.1 t80 -40.24 -40.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -51.02 71.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -70.23 -20.67 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 66.4 t60 -83.31 -18.02 40.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.73 -28.42 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.29 -21.11 13.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.3 mmm -122.63 84.69 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 41.3 t -113.82 136.55 22.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.0 mm-40 -125.69 84.62 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.59 ' HG2' ' CE2' ' A' ' 49' ' ' PHE . 7.4 tm-20 -99.18 87.04 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 p -107.83 35.74 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.9 p -173.19 170.85 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.43 151.47 1.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.631 2.22 . . . . 0.0 112.388 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -128.46 72.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -90.4 -49.42 6.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -93.68 -19.31 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -52.04 98.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.8 -153.68 6.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -112.71 157.59 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 p -105.72 13.4 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.49 -172.06 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 16.1 p-80 -96.9 151.64 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.821 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -112.3 114.31 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -106.03 -42.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -122.88 96.36 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -114.21 52.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -89.26 -35.25 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -136.21 75.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -44.55 127.89 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -108.13 157.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.517 ' N ' ' CG2' ' A' ' 16' ' ' VAL . 18.7 pt -112.32 145.99 33.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.08 35.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.688 ' SG ' HD21 ' A' ' 36' ' ' LEU . 11.5 t -80.3 134.15 55.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.78 -25.4 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 22.7 m-20 -62.9 -11.49 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER 84.33 23.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.34 141.61 23.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 64.46 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.14 124.8 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.031 ' C ' HD13 ' A' ' 27' ' ' LEU . 29.2 mttt -114.36 143.82 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.031 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.22 -70.51 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.429 ' C ' HG12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 171.16 -167.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -95.26 23.33 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -141.98 -39.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -88.39 8.33 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -63.9 -50.1 71.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.93 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.72 -26.65 27.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.29 -7.5 58.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 51.3 t60 -99.51 -34.21 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.688 HD21 ' SG ' ' A' ' 19' ' ' CYS . 29.1 mt -80.8 -6.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.8 tp-100 -82.86 -61.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.23 33.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -138.58 11.85 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 51.7 t -110.24 134.91 20.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.6 mmmt -88.84 27.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 1.036 ' NH2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.57 -19.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 13.6 mmm180 77.36 56.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 1.036 HD22 ' NH2' ' A' ' 43' ' ' ARG . 2.1 mp -143.28 104.09 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -119.16 149.2 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.73 134.3 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.54 21.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.24 -65.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.1 p -87.29 -17.59 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.37 57.93 11.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 87.2 m -143.23 120.23 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.43 153.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 38.2 m-85 -149.0 -177.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -102.96 -173.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.11 -64.89 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.22 -15.87 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -97.81 -65.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 45' ' ' LEU . 8.3 t80 -41.29 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 2.1 tt0 -81.04 -43.64 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ALA . 93.7 p -85.25 -8.03 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -91.22 -18.71 23.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 2.3 pt-20 -78.31 46.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.37 -36.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 mtp -118.92 37.22 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.08 137.56 47.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.69 17.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -125.38 60.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -42.96 -34.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.9 t -88.0 145.49 25.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -80.99 -52.86 6.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.83 150.77 27.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 126.54 13.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.3 m -131.14 8.87 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -84.67 132.43 34.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -122.28 27.48 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 4' ' ' GLY . 34.7 t -65.63 -175.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' OG ' ' A' ' 3' ' ' SER . . . 121.05 38.93 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -103.72 110.56 22.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -120.07 155.84 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.47 154.63 22.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -169.62 125.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 10' ' ' ASN . 4.0 tt -65.29 120.57 13.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -167.54 173.39 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -122.88 70.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.1 m -96.01 -48.41 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 65.17 50.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -151.15 140.77 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -91.11 82.15 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -127.39 -168.69 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.752 HD11 ' C ' ' A' ' 28' ' ' SER . 1.8 pp -133.79 142.33 43.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.48 53.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.2 t -74.57 135.45 75.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -20.98 33.95 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 16.0 m-20 -70.61 -4.61 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER 74.73 36.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 146.0 34.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 64.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mmm -159.76 129.37 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.7 mttm -115.67 145.24 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -127.43 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.752 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.7 t 158.25 177.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . 6.0 mmm-85 -82.68 20.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -124.95 -48.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.59 7.15 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -57.49 -49.9 91.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.78 -21.6 33.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.44 8.58 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.2 t60 -108.13 -44.17 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -73.77 -3.97 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.0 tt0 -83.13 -71.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.14 21.15 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -126.61 10.51 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 40.3 t -114.86 135.51 22.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.87 11.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ARG . 13.0 mmtt -106.09 33.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.06 -28.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' LYS . 6.8 mmm180 62.28 46.71 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.41 103.92 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 148.37 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.5 t -88.66 113.99 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.12 0.36 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 4.3 m-85 -96.53 -52.38 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.1 p -106.02 -28.0 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 84.07 39.89 9.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 89.9 m -125.16 119.62 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.47 145.98 4.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.681 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 51.6 m-85 -147.71 171.37 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.98 177.59 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -69.76 -37.31 75.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -82.92 -32.08 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -48.57 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -49.24 -44.56 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -49.05 -53.56 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -73.7 -26.86 60.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.681 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 72.2 t60 -66.44 -20.32 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.25 130.79 43.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.43 -33.21 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' CYS . 11.0 ptm -94.13 -9.05 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' MET . 18.5 t -35.1 138.34 0.37 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.39 12.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 20.2 mt-30 -123.13 60.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -46.56 -63.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -130.17 48.44 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -126.1 131.8 52.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.0 155.05 16.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.9 12.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.7 t -126.46 124.34 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -77.49 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -124.67 150.61 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -128.63 80.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.02 -154.4 17.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -120.68 37.45 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -79.71 63.5 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.4 -130.39 3.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.3 151.28 51.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.35 -176.28 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -54.16 152.91 5.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 p -120.44 156.91 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 m -133.31 99.0 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.1 p -117.37 -50.87 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.2 159.14 15.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -80.26 138.37 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.02 178.25 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.487 HD11 HD22 ' A' ' 32' ' ' LEU . 2.2 pt -136.49 154.97 77.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.741 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.43 30.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 36' ' ' LEU . 35.4 t -52.05 134.49 39.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.78 -18.34 36.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -73.71 -7.15 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 77.02 36.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.02 145.28 31.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 64.97 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtp -158.89 116.63 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' C ' HD13 ' A' ' 27' ' ' LEU . 20.3 mttt -106.27 124.92 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.716 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -108.34 -70.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 159.8 176.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 52.6 mtp180 -80.03 13.57 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -120.24 -47.93 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -94.56 16.81 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.0 tp -65.97 -50.03 54.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.77 -35.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.91 -0.25 30.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 45.3 t60 -100.73 -40.12 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -76.4 -6.46 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -79.88 -68.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 3.9 p-80 -141.35 24.83 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -130.11 9.84 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.6 t -113.12 134.49 21.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -31.44 20.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -109.64 31.51 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -42.33 -24.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 21.8 mtm180 70.16 50.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -133.79 105.8 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -115.42 149.03 38.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 42.7 t -79.3 131.32 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 14.4 pt-20 -83.54 19.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 28.1 m-85 -124.86 -63.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.3 p -89.4 -8.4 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.04 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.9 m -143.08 130.53 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 150.04 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.784 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 23.5 m-85 -148.14 168.32 22.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.98 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.52 -80.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.17 -29.56 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -56.0 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -40.58 -32.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -58.0 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 p -66.93 -12.07 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.784 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 29.9 t60 -93.19 -7.4 45.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.18 30.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.59 -37.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' A' ' 66' ' ' CYS . 3.4 ttt -109.5 -70.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 65' ' ' MET . 16.7 t 60.35 138.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.11 13.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.7 mp0 -123.51 83.45 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -79.89 -47.31 15.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -66.22 90.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.8 p -52.42 122.94 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.69 159.48 24.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.56 45.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 t -153.98 166.77 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 t -107.31 131.25 54.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.431 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 p -69.81 151.68 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -89.12 -67.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.18 -173.93 28.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -136.12 144.54 45.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -113.39 16.61 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.79 99.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -55.91 147.8 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD23 ' N ' ' A' ' 10' ' ' ASN . 2.8 tt -71.3 149.78 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.808 ' N ' HD23 ' A' ' 9' ' ' LEU . 57.3 m-20 -66.3 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -90.23 -28.21 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.01 123.17 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 t -76.53 93.71 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -99.91 141.8 32.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 16' ' ' VAL . 22.1 t-20 -88.82 146.52 24.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -156.34 179.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' N ' HG23 ' A' ' 16' ' ' VAL . 2.2 pt -142.7 157.68 61.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.54 57.46 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 51.5 t -65.1 135.6 96.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.44 27.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 8.2 m-20 -63.89 -8.04 9.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp180 77.1 37.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -112.83 144.32 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 64.66 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.59 119.56 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.0 mttm -107.66 128.66 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -110.09 -70.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 t 159.73 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 75.7 mtm180 -81.63 16.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -123.24 -47.19 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -94.3 13.8 22.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.674 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -64.88 -50.0 65.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.78 -23.09 31.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.6 7.4 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 55.4 t60 -105.55 -41.22 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt -77.3 -6.36 52.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -78.91 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 2.5 p-80 -148.65 22.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -126.76 10.99 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.8 t -112.64 135.1 21.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.72 16.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 3.7 mmmt -105.27 30.85 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -46.61 -31.1 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 18.2 mtm180 75.46 46.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 mt -137.87 104.49 5.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 159.3 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.57 157.03 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -99.29 -29.91 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 11.1 m-30 -74.53 -71.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.2 p -80.26 -44.06 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.26 58.72 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 73.9 m -123.75 128.05 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.75 131.3 9.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 37.7 m-85 -145.43 173.48 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -93.21 -177.19 4.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.78 -27.85 40.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -91.21 -21.47 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -91.66 -52.45 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t80 -37.17 -44.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.36 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' ALA . 15.1 m -77.74 -15.1 59.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 79.1 t60 -83.71 -37.93 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.87 -19.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 -27.43 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.16 46.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.67 135.02 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.72 37.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -142.63 93.68 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.519 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -108.26 -160.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -56.82 -51.04 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 m -67.59 127.68 33.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.22 60.36 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.27 13.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -39.3 111.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -71.34 -37.14 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.467 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -143.4 140.32 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m -158.8 146.74 18.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.52 113.18 1.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -114.07 160.58 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -102.61 -175.17 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.27 -152.9 27.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' C ' HD12 ' A' ' 9' ' ' LEU . 21.2 m-70 -127.5 -177.52 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 8' ' ' HIS . 9.2 mp -134.25 -175.69 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -55.62 176.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 t -150.31 147.92 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 m -111.92 85.11 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.4 m -127.04 130.5 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 7.3 t80 -104.41 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 46.6 41.69 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -118.97 171.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 28' ' ' SER . 21.2 pt -113.38 139.44 23.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.28 67.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 50.0 t -74.46 135.52 75.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.73 -21.34 33.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.58 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -67.94 -11.12 58.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.06 21.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -98.77 142.75 25.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.657 0.741 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.38 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mmm -157.59 127.95 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.995 ' C ' HD13 ' A' ' 27' ' ' LEU . 12.1 mttm -117.16 145.67 43.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.995 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.4 -70.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 169.41 -160.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -103.97 27.51 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -142.74 -39.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.88 7.2 35.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.683 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -63.11 -49.06 82.56 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.97 15.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 78.7 t60 -95.15 -44.51 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.2 mt -76.16 -8.24 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -78.38 -61.06 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' ND1' ' HG3' ' A' ' 57' ' ' GLU . 4.3 p80 -151.8 24.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -129.59 14.34 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' HIS . 50.3 t -111.04 132.62 21.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.491 ' HG3' ' CB ' ' A' ' 23' ' ' CYS . 5.9 mmtp -87.03 19.89 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.581 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -47.0 -21.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 62.58 53.99 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' NH2' ' A' ' 43' ' ' ARG . 3.3 mt -144.17 103.88 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 159.43 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.3 t -55.58 139.72 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.67 19.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 2.2 m-85 -128.76 -69.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.7 p -84.58 5.04 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.03 61.15 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ASP . 95.8 m -129.72 118.35 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.1 p30 -34.93 137.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -148.72 -176.24 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -104.99 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.93 -84.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' ND1' ' A' ' 38' ' ' HIS . 2.6 mt-10 -46.3 -44.15 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.34 -57.33 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.2 t80 -44.22 -34.2 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.41 -58.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -61.88 -19.56 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -76.15 -22.0 55.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.45 -14.8 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -27.73 5.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.38 74.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.6 137.18 19.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.45 7.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -125.25 73.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' CD1' ' A' ' 49' ' ' PHE . 10.5 tp10 -73.56 -18.27 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -123.19 127.01 48.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.0 p -54.61 143.46 24.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.12 -177.84 26.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -165.63 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.5 m -149.13 162.0 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 m -69.49 90.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -115.68 -3.79 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -151.81 176.93 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 149.73 -59.41 0.44 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.2 t -38.07 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -157.45 116.56 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 69.42 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.55 121.53 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.5 tp -72.33 138.23 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -85.16 77.01 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -45.5 129.08 8.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.1 p -139.11 112.15 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -106.49 36.23 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -105.44 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -79.66 86.46 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -135.38 -174.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 19.7 pt -139.53 149.24 59.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.47 49.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' A' ' 36' ' ' LEU . 47.9 t -81.27 135.09 50.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.55 37.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.789 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.0 m-20 -74.19 -7.66 53.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.3 ptp180 81.07 18.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -92.24 139.75 24.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 64.35 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.385 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 mmm -154.44 136.29 14.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.3 mttm -119.27 136.56 54.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.82 -71.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER 158.38 175.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' CG ' HD13 ' A' ' 17' ' ' ILE . 13.3 mtp85 -78.78 10.51 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -118.72 -46.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.63 10.61 22.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.667 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.4 tp -65.15 -49.81 64.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 -27.28 26.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.285 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.47 -23.36 27.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 38.6 t60 -81.6 -36.1 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.789 HD22 ' OD1' ' A' ' 21' ' ' ASN . 56.2 mt -80.2 6.69 11.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 56' ' ' GLY . 20.2 tt0 -94.98 -58.67 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 2.7 p-80 -149.63 29.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.977 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -124.75 -22.53 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 35.3 t -74.29 129.5 84.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.9 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.7 mmtm -82.0 17.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -38.39 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 36.4 mtp85 46.66 56.62 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.59 115.93 22.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.21 144.82 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.9 t -66.63 135.89 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 2.5 pt-20 -81.41 15.02 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.517 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 73.3 m-85 -126.92 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 31.8 p -92.25 9.14 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' CYS . . . 37.37 60.48 1.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.5 m -132.33 142.44 49.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.82 139.93 57.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 33.5 m-85 -148.96 177.28 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -104.42 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -75.11 -65.31 2.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.02 -28.9 69.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.91 -55.17 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.8 t80 -45.55 -40.21 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.17 -53.67 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -68.86 -23.2 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 t60 -72.59 -22.46 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.76 -30.01 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.59 -21.14 22.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 ptp -124.75 111.14 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.0 t -139.45 137.0 18.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -34.94 13.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.74 67.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -76.8 67.7 2.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -127.38 166.98 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.8 m -88.83 1.44 55.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . 40.94 52.86 3.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 54.0 Cg_endo -69.76 90.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t 51.76 36.57 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 m -83.05 -178.04 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.52 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -165.47 176.52 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -79.31 -32.37 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.52 -111.72 4.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -89.54 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -96.46 169.59 9.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.97 -174.22 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -112.43 131.12 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.6 pt? -54.57 137.48 43.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -123.93 140.13 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -92.27 152.51 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.96 100.81 7.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -91.4 172.99 8.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -99.7 1.28 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.3 OUTLIER -85.84 -14.15 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.897 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.45 -173.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.892 HD11 HD22 ' A' ' 32' ' ' LEU . 32.3 pt -141.18 152.74 65.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.54 65.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.52 135.03 86.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -19.53 35.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.6 m-20 -69.03 -10.85 59.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.86 22.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.12 140.88 22.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 64.42 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtp -155.31 117.05 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.686 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.7 mttt -106.51 121.92 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.09 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.6 t 160.04 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.622 ' CD ' HD13 ' A' ' 17' ' ' ILE . 17.9 mmt180 -80.8 15.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -122.25 -47.81 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -88.66 5.18 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 17' ' ' ILE . 6.7 tp -60.27 -50.41 86.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.8 -22.37 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.58 24.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 21.0 t60 -86.74 -38.66 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.527 HD22 ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -78.82 6.51 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HG3' ' CG ' ' A' ' 38' ' ' HIS . 6.2 tp60 -96.35 -48.7 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -156.0 32.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 2.6 t0 -128.93 -29.23 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 11.2 t -66.95 128.61 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.5 26.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.635 2.223 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 21.2 mttp -109.11 26.26 10.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LYS . 7.9 ptt-85 -37.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' LYS . 32.1 mtp85 61.83 52.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 15.2 mt -124.34 104.44 8.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 3.1 tmmm? -129.98 151.7 50.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 42.0 t -90.27 134.33 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.94 20.21 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -123.83 -75.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p -75.04 -26.41 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.97 56.62 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 57.2 m -140.45 129.89 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.84 153.82 23.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 60.3 m-85 -148.69 -175.96 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.685 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 5.2 m -114.65 155.32 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' LEU . . . -43.82 -32.15 2.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -87.89 -39.36 14.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -68.53 -58.13 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' ALA . 54.8 t80 -36.29 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -74.01 -46.76 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t -73.21 -15.03 61.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 14.7 t60 -84.62 -54.36 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.57 139.48 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.44 -17.35 40.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ttt -126.07 -72.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.346 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.94 134.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 -31.45 20.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' SER . 36.1 mm-40 -122.41 -13.39 8.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLN . 9.8 tp10 34.34 34.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' GLN . 3.5 p -34.83 114.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -52.93 4.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.45 66.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.11 58.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -79.11 125.37 29.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 m -101.79 1.21 36.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.502 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -119.6 99.12 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t 59.67 52.94 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.6 -134.53 7.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 p -140.2 177.92 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.43 169.72 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 -78.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m80 48.87 26.49 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.19 171.64 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -124.76 163.27 22.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 m -118.04 142.62 47.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 p -102.49 168.12 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -124.68 44.07 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -110.4 179.14 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -66.72 107.93 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -139.19 179.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 32' ' ' LEU . 4.9 pt -127.9 152.6 77.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 153.88 68.13 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.44 135.6 84.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.59 33.11 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.604 ' OD1' HD22 ' A' ' 36' ' ' LEU . 2.7 m-20 -67.3 -11.59 57.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 84.33 22.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.73 142.82 25.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 64.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.282 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmm -157.24 127.08 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.92 ' C ' HD13 ' A' ' 27' ' ' LEU . 14.3 mttp -113.93 142.39 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.85 -69.93 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 163.06 174.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' OG ' ' A' ' 28' ' ' SER . 42.8 mtm180 -78.69 10.62 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -119.55 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.51 9.97 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -63.22 -50.5 74.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.79 -20.19 35.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.17 6.56 48.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 74.6 t60 -106.02 -40.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' OD1' ' A' ' 21' ' ' ASN . 1.4 mt -76.86 -3.85 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 45.1 tt0 -84.58 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -147.29 27.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.07 7.57 4.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.4 t -105.23 130.76 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 33.6 mmtt -83.37 23.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.631 ' CZ ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -52.22 -21.89 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.5 65.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 12.5 mt -145.2 103.86 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 53' ' ' ASP . 7.8 tptt -101.66 159.99 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.6 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.8 t -89.07 111.12 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -10.22 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -87.3 -66.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.6 -42.23 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.07 56.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 56.1 m -145.62 123.18 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 4.8 p-10 -34.53 140.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 13.5 m-85 -149.05 -179.9 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -98.45 -172.59 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -78.0 -79.13 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -21.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.59 -57.28 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.4 t80 -36.99 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mm-40 -85.31 -59.97 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.4 p -68.99 -2.08 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.0 t60 -93.9 -4.52 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.45 -31.35 67.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.41 -33.25 20.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.444 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -93.17 -11.0 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.478 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 43.8 t -36.77 134.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.66 21.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -131.55 74.09 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.65 -22.98 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.2 t -148.55 146.89 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.2 p -105.52 144.01 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.21 11.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -22.3 32.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -81.83 -51.47 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -81.04 -10.4 59.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.464 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p 44.85 33.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -130.25 146.16 51.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.24 56.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.6 p -42.39 -46.18 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.0 m 36.61 49.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 151.34 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -91.2 136.76 32.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 9' ' ' LEU . 4.5 tt -147.73 117.06 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -157.6 119.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -92.27 125.3 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.78 127.38 31.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -109.07 160.54 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -117.49 160.89 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 61.77 37.86 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.31 -179.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HD22 ' A' ' 32' ' ' LEU . 3.9 pt -140.23 155.22 70.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.06 64.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.23 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 53.9 t -70.77 134.46 86.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.77 -27.22 26.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.546 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -61.64 -8.75 4.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 4.8 mtp180 78.58 43.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 1.2 p -121.77 144.58 41.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 64.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.14 119.79 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.671 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.5 mttp -111.63 127.99 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.6 -68.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 162.58 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -87.52 16.9 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -123.93 -47.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -88.46 4.12 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -59.1 -50.37 88.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.83 -10.03 27.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.273 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 6.65 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.4 t60 -107.36 -38.29 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' OD1' ' A' ' 21' ' ' ASN . 3.1 mt -81.0 -4.13 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.1 -55.94 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.85 25.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.588 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -130.71 10.56 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.3 t -109.65 129.44 23.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.76 3.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.27 . . . . 0.0 112.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.479 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.4 mmpt? -85.04 17.09 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.05 -19.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 24.8 mmm180 77.19 52.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 43' ' ' ARG . 11.1 mt -145.07 104.1 3.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 8.6 tttt -116.53 149.36 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.7 136.84 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.35 13.58 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -123.42 -74.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.6 p -76.39 -12.6 60.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.475 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 54.95 60.05 9.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 55.5 m -140.85 113.93 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' CYS . 20.4 m-20 -35.33 147.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 27.5 m-85 -148.13 170.81 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.48 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -95.13 -171.94 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -73.03 -58.05 4.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.41 -15.95 63.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.81 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' ALA . 13.9 t80 -37.6 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -77.12 -61.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -60.94 -14.91 25.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -87.14 -4.78 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -57.3 122.44 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.96 -41.97 2.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.4 tpt -80.42 87.93 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.3 t -123.78 133.73 24.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -28.45 25.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -126.38 81.38 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -89.18 77.79 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.2 t 44.07 35.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p -112.37 18.41 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 163.62 13.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.37 53.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -40.93 158.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -51.09 151.41 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -104.84 128.52 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -132.78 -55.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.38 150.61 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -166.74 140.3 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -160.54 178.48 9.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.73 140.68 15.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' C ' HD23 ' A' ' 9' ' ' LEU . 6.1 m80 -118.78 88.6 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -133.6 89.52 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 11' ' ' THR . 7.2 t-20 -175.94 170.34 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.9 p 63.54 42.36 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.9 m -82.53 135.18 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -133.66 178.58 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 2.3 m-30 -103.25 -176.48 3.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 55.83 40.57 30.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 12.9 m -117.5 151.89 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -109.92 153.99 42.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 111.176 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.57 68.38 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' HD21 ' A' ' 36' ' ' LEU . 10.6 t -76.36 134.03 70.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.716 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.14 30.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.782 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.9 m-20 -63.73 -11.31 25.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.18 23.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.64 139.75 21.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 64.17 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mmm -154.6 131.25 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.889 ' C ' HD13 ' A' ' 27' ' ' LEU . 31.9 mttt -115.01 132.83 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.889 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.05 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 159.83 174.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HA ' HD11 ' A' ' 17' ' ' ILE . 12.7 ttp180 -78.62 10.66 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -119.38 -46.88 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.33 8.33 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -63.7 -50.29 72.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.69 -25.11 29.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.65 -24.97 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' CYS . 41.9 t60 -80.24 -31.64 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.782 HD22 ' OD1' ' A' ' 21' ' ' ASN . 94.4 mt -84.55 8.86 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -98.22 -49.94 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CB ' ' H ' ' A' ' 56' ' ' GLY . 1.7 p-80 -156.42 28.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.462 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.7 t0 -124.51 -25.5 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' HIS . 11.8 t -71.89 126.0 91.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 47.1 mttt -83.53 23.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.796 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -51.37 -23.73 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 64.6 61.18 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD12 ' NH2' ' A' ' 43' ' ' ARG . 10.3 mt -137.63 104.21 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 9.5 tttt -105.89 159.89 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 41.2 t -76.48 142.41 40.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.82 19.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 39.1 m-85 -134.19 -75.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 29.5 p -73.54 -28.36 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 71.56 61.09 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.519 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 76.5 m -144.65 121.29 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.8 p30 -34.52 141.65 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 12.4 m-85 -148.61 -176.02 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -101.3 -178.85 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' CB ' ' A' ' 38' ' ' HIS . . . -66.54 -87.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.528 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.75 -25.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -76.38 -56.69 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.5 t80 -48.89 -21.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -56.34 3.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -76.15 -6.74 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.6 t60 -92.05 -15.51 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.74 -22.17 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.6 -26.48 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.5 mmt -113.36 31.48 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.5 t -61.13 137.6 94.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.804 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.81 -36.42 10.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 41.0 mm-40 -122.04 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 tt0 -87.38 70.79 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t -34.62 98.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 70.4 p -175.05 170.22 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.35 69.97 1.09 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -12.5 33.04 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.5 m -67.03 -30.77 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -109.15 155.03 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.477 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -162.41 160.01 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -108.31 160.51 15.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.54 -155.64 8.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -139.89 116.63 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -65.24 -69.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.48 131.31 5.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -116.45 69.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 mt -75.77 141.56 42.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -158.73 113.55 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m -72.4 -64.46 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 13' ' ' SER . 36.3 t -132.58 161.89 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.422 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 14.7 m -71.71 130.59 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.746 ' O ' HG22 ' A' ' 16' ' ' VAL . 54.6 m-85 -132.8 -172.82 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -63.17 91.98 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.87 146.23 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG12 ' C ' ' A' ' 28' ' ' SER . 3.5 pt -121.05 149.11 50.55 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.59 69.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.736 ' SG ' HD21 ' A' ' 36' ' ' LEU . 5.3 t -79.58 134.03 58.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.59 33.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.732 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.9 m-20 -66.63 -10.97 51.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.06 22.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.27 139.73 22.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 64.26 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtp -152.87 132.7 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' C ' HD13 ' A' ' 27' ' ' LEU . 25.3 mttm -117.25 115.48 25.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.824 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -97.15 -70.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER 160.68 -175.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 mmm-85 -88.32 20.19 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -134.07 -41.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -88.55 7.39 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -64.74 -50.01 66.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.915 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.77 -25.91 28.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.54 -21.69 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 32.9 t60 -84.11 -34.77 24.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD21 ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -80.52 6.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -95.08 -51.83 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -154.33 30.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.987 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 6.3 t0 -125.95 -26.94 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' HIS . 7.6 t -69.0 124.13 89.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.22 8.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 16.0 mmtm -93.54 22.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -49.17 -20.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 35.8 mmm-85 76.79 52.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 13.1 mt -142.92 104.07 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.0 ttpm? -114.1 159.33 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 42.4 t -72.31 140.1 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.0 19.4 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -128.58 -74.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 p -74.14 -32.99 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' CA ' ' HD2' ' A' ' 46' ' ' LYS . . . 80.83 55.86 3.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 72.9 m -140.4 118.08 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' CYS . 43.0 p-10 -34.72 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 21.3 m-85 -147.47 169.55 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.448 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 1.4 m -92.96 -177.83 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -68.75 -78.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.73 -25.12 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -74.95 -64.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ALA . 12.2 t80 -36.06 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' ALA . 5.4 mm-40 -74.61 -49.84 20.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ALA . 45.5 m -71.64 -18.03 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -74.17 -22.79 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.33 128.6 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.25 -40.51 3.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.74 39.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.8 t -84.36 134.61 42.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -30.81 21.85 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -124.33 70.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -73.59 84.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 p -68.0 72.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 m -150.91 126.13 9.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.16 153.45 8.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.11 35.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.218 . . . . 0.0 112.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 t -118.28 139.83 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -162.33 173.63 13.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.495 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -143.61 144.35 31.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -115.15 175.37 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.49 -126.36 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t 57.07 36.54 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -53.39 -60.55 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 169.77 7.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.557 ' C ' HD13 ' A' ' 9' ' ' LEU . 9.1 p-80 -164.31 152.22 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.711 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -151.42 173.61 14.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -146.65 126.79 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 11' ' ' THR . 33.4 m -59.49 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.7 p -102.64 178.0 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.1 t -106.59 97.3 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 13' ' ' SER . 14.9 m-85 -149.23 130.1 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -79.33 95.18 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 27' ' ' LEU . 5.7 t -154.45 162.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' N ' HG12 ' A' ' 16' ' ' VAL . 4.3 pt -106.04 139.75 20.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.25 53.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.642 ' SG ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -65.29 134.17 95.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.707 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -16.11 37.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 29.0 m-20 -74.68 -10.18 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 84.27 22.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.26 140.14 22.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 64.71 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.78 128.84 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.847 ' C ' HD13 ' A' ' 27' ' ' LEU . 69.3 mttt -112.23 130.01 56.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -113.43 -70.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 161.31 177.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 28' ' ' SER . 19.8 mtt180 -82.31 17.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 -44.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -88.28 14.81 8.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -65.03 -50.13 63.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 -40.02 5.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.91 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 48.5 t60 -97.05 -40.08 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' SG ' ' A' ' 19' ' ' CYS . 11.6 mt -75.96 -5.26 45.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -82.9 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.85 25.84 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.63 9.26 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.4 t -113.26 134.62 21.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.49 6.35 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -100.44 32.57 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 53.27 52.42 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 mt -115.25 106.32 13.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -110.24 146.69 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 t -81.8 125.84 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 48' ' ' GLU . 2.4 tp10 -76.03 -13.65 60.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 9.4 m-30 -81.82 -65.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 17.6 p -87.75 -50.0 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.49 41.71 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -122.8 169.48 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -93.29 143.83 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -148.81 -176.66 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 1.2 m -114.75 179.99 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.04 -64.81 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.34 -35.89 81.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -63.35 -54.88 30.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -52.12 -38.92 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -43.84 -57.11 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -70.6 -40.99 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' GLU . 53.2 t60 -62.77 -16.86 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 64' ' ' GLY . 8.7 tp10 -35.1 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' N ' ' HG3' ' A' ' 63' ' ' GLU . . . -82.32 -12.36 80.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -90.8 43.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 40.2 t -88.13 137.05 31.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.654 0.74 . . . . 0.0 110.819 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.19 15.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.8 mp0 -122.47 82.03 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 4.6 tm-20 -101.54 -57.64 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -89.12 -12.33 41.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -138.95 136.39 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.92 -176.67 12.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.33 34.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 p 49.66 27.37 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 m -68.14 174.67 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.528 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.44 129.27 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.18 163.68 29.88 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -99.4 168.22 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -99.01 -67.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.52 175.57 33.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' HIS . . . . . 0.665 ' C ' HD12 ' A' ' 9' ' ' LEU . 8.5 t60 -142.63 127.65 18.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD12 ' C ' ' A' ' 8' ' ' HIS . 3.2 mp -150.18 135.79 18.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 5.7 p30 -126.43 171.01 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.902 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -113.16 135.76 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.39 147.64 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 m -132.29 65.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' ASN . 59.9 t80 -83.42 77.48 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' PHE . 8.7 p30 34.79 38.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.945 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 7.5 m -70.72 178.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD22 ' A' ' 32' ' ' LEU . 7.5 pt -137.73 154.16 74.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.17 32.33 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 36' ' ' LEU . 36.0 t -58.45 134.48 85.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -26.53 27.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 21.5 m-20 -64.95 -6.38 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 16.4 mtp180 76.85 49.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.72 142.58 41.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 64.51 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtp -157.98 117.54 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.9 mttm -104.84 124.24 49.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -107.91 -70.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 159.38 177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' CD ' HD13 ' A' ' 17' ' ' ILE . 12.7 mmm180 -78.75 13.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -121.72 -46.61 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -88.72 7.72 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.1 tp -65.99 -50.29 53.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.75 -28.92 24.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.66 -22.19 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' CYS . 52.2 t60 -78.7 -33.64 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -83.04 -2.2 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tm0? -86.59 -58.85 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.8 OUTLIER -150.25 29.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -132.53 4.05 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.5 t -102.08 134.15 20.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.81 6.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 44' ' ' ARG . 8.7 mmmt -92.78 24.1 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 54' ' ' PHE . 3.8 ptt180 -36.28 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' LYS . 34.3 mtp180 61.82 40.21 13.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.88 111.73 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -122.19 136.75 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.34 129.9 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.77 28.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 2.1 m-85 -131.3 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.6 p -85.0 -37.55 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.03 52.11 2.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 16.4 m -141.23 137.75 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.97 141.83 57.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 60.2 m-85 -143.5 175.4 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m -98.51 -175.03 2.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -72.95 -58.33 4.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -64.16 -22.21 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' N ' ' OE1' ' A' ' 57' ' ' GLU . . . -87.15 -55.47 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -45.62 -31.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.2 -52.18 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 t -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 49.8 t60 -91.89 -9.76 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.43 -31.99 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.76 -21.34 9.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 65' ' ' MET . 3.2 ttp -103.3 14.74 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 t -60.07 138.88 91.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.68 12.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 5.1 mt-30 -124.2 83.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -83.2 86.77 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 p 51.67 30.75 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 p -124.63 151.89 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.57 76.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.5 5.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 p -99.63 -175.96 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -129.77 158.22 40.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -123.55 171.49 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 12.3 m -127.36 2.53 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.99 89.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -85.02 160.99 19.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -171.19 -179.68 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.27 -179.17 47.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -143.93 139.3 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -102.49 129.37 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -130.98 173.97 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 t -135.1 158.16 45.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.85 -174.55 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -127.16 -8.88 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.41 169.22 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.5 t30 -60.9 107.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 5.0 m -145.71 144.75 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 32' ' ' LEU . 5.6 pt -107.03 155.09 39.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.31 66.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.8 t -73.71 134.02 79.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.99 35.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.8 m-20 -68.44 -10.59 56.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.0 22.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 p -97.05 139.62 21.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 64.1 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mmm -155.47 131.81 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.983 ' C ' HD13 ' A' ' 27' ' ' LEU . 68.0 mttt -115.06 136.87 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.15 -71.19 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER 158.63 175.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 17' ' ' ILE . 31.4 mtp180 -79.02 11.7 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -119.52 -47.22 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -88.59 7.95 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.2 tp -63.41 -50.23 74.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 -22.14 32.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.55 -26.84 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' CYS . 40.9 t60 -78.08 -33.42 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD22 ' OD1' ' A' ' 21' ' ' ASN . 74.1 mt -82.94 9.17 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -98.66 -50.24 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.2 p-80 -155.64 28.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.0 t0 -125.41 -25.38 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' HIS . 9.2 t -71.49 124.48 91.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.55 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 3.8 mmtp -84.22 18.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.21 -20.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD22 ' A' ' 45' ' ' LEU . 21.5 mmm180 76.9 55.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' CG ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -122.84 104.9 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -127.51 137.49 52.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.71 158.06 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.45 -28.4 13.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -84.72 -70.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 15.9 p -73.71 -29.01 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.24 59.2 6.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 61.5 m -134.59 130.82 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -54.04 141.92 26.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 45.1 m-85 -148.76 166.75 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -97.68 -173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -71.15 -35.44 64.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.31 -26.12 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.366 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.99 -60.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.866 ' CG ' HD12 ' A' ' 45' ' ' LEU . 51.9 t80 -45.05 -30.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.54 -60.04 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -75.74 -5.13 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 58' ' ' ALA . 37.6 t60 -91.07 -13.24 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.87 -24.38 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.68 -23.8 7.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.2 mtp -120.27 86.26 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.8 136.94 19.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.43 22.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.0 mt-30 -124.55 77.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -81.99 -34.61 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 t -62.85 104.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -63.91 163.47 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.62 66.94 1.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 149.97 67.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.9 t -92.94 -27.72 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 t -147.42 167.37 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.443 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -144.61 127.4 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -45.42 108.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.91 140.3 4.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.8 p -61.21 138.64 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.4 m -36.99 122.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 157.63 28.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.02 142.69 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -60.04 164.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -91.13 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -153.04 171.17 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 p -141.64 175.24 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -79.34 172.81 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -174.12 164.46 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . 0.838 ' O ' HG13 ' A' ' 16' ' ' VAL . 21.4 t-20 -77.55 111.12 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -175.31 148.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.862 HD11 HD22 ' A' ' 32' ' ' LEU . 25.6 pt -122.27 152.51 60.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 144.88 55.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.7 t -67.1 133.73 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.45 27.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 25.7 m-20 -63.91 -7.05 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 8.0 mtt85 78.78 48.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -126.0 140.5 37.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 64.56 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mtp -155.4 117.5 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.711 ' C ' HD13 ' A' ' 27' ' ' LEU . 13.6 mttm -103.49 123.14 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.733 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -108.28 -69.97 0.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 160.12 175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' CG ' HD13 ' A' ' 17' ' ' ILE . 66.3 mtp180 -80.14 12.9 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -121.21 -47.18 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.97 4.04 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.862 HD22 HD11 ' A' ' 17' ' ' ILE . 6.5 tp -58.1 -50.21 89.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.8 -31.09 21.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.45 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.3 t60 -85.35 -30.05 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.4 mt -85.69 -4.6 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -54.41 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 30.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -134.07 8.96 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.9 t -107.52 130.81 22.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.459 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 12.6 mmtm -96.46 31.44 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.85 -20.39 8.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.32 50.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD13 ' NH2' ' A' ' 43' ' ' ARG . 11.9 mt -145.04 104.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.21 156.9 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -55.79 147.0 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.58 22.72 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' OE2' ' A' ' 69' ' ' GLU . 82.0 m-85 -129.54 -56.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 p -94.87 2.34 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.08 59.58 2.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASP . 91.3 m -135.68 117.8 15.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' CYS . 14.2 p-10 -35.82 142.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -146.04 -175.98 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -106.98 -174.98 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.86 -60.52 3.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.38 -22.47 62.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.42 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.3 t80 -53.74 -23.93 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.57 -58.59 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -63.72 -10.6 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -84.12 -11.49 56.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.3 -10.37 57.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.8 -9.83 34.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttp -148.97 114.92 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 46.7 t -130.42 134.84 26.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.57 12.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -122.08 75.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 49' ' ' PHE . 3.8 tp10 -83.05 1.59 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t 57.97 30.91 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 m -88.06 -66.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.28 83.43 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.92 15.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 p -96.68 118.62 33.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -98.88 -175.06 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -127.01 130.09 49.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.85 -53.08 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -168.78 40.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -161.64 156.18 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -72.23 148.9 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.39 83.28 1.73 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -161.03 136.38 7.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' LEU . . . . . 0.792 HD22 ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -129.54 178.26 6.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 10' ' ' ASN . . . . . 0.792 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.8 m120 -152.02 173.88 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -124.67 -19.56 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -39.0 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.48 117.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -96.4 173.12 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -95.6 95.03 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -143.06 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.627 ' N ' HG23 ' A' ' 16' ' ' VAL . 19.2 pt -130.51 151.55 78.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.97 69.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.3 t -69.86 135.14 87.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 -22.93 31.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.5 m-20 -66.43 -7.26 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 5.9 mtp85 78.0 27.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.03 144.34 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 64.21 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 25' ' ' MET . 1.5 mmm -159.78 127.59 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.936 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.2 mttp -118.7 143.59 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 27' ' ' LEU . . . . . 0.936 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.34 -71.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 28' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 11.4 t 170.22 -177.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' N ' ' OG ' ' A' ' 28' ' ' SER . 56.7 mtp180 -87.94 24.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -138.27 -41.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.88 7.66 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.56 -49.1 72.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 -6.76 19.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.37 7.14 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.4 t60 -108.86 -39.16 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mt -77.05 -3.53 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.4 tt0 -85.14 -66.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 4.5 p-80 -140.88 27.22 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' ASP . . . . . 0.57 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -133.66 10.26 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' CYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 52.3 t -111.53 131.59 22.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.8 6.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -101.59 33.27 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -32.86 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 61.66 54.36 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -130.13 103.89 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.47 157.72 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.62 127.29 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 18.9 pt-20 -81.74 16.09 1.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 9.3 m-85 -116.5 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.7 p -93.4 -32.05 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.53 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.29 148.57 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.87 143.29 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 30.2 m-85 -144.86 145.13 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.43 146.22 42.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . 72.22 -176.59 40.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.97 -14.44 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.68 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.0 -31.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.56 -53.66 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -64.94 -11.83 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 47.5 t60 -83.12 -9.67 59.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.47 -25.33 65.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.49 -31.26 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 ttt -113.74 69.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 t -107.97 138.64 20.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -39.62 6.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 6.4 mp0 -121.15 71.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.29 -28.12 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.8 m -42.87 156.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -50.13 -52.6 33.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.97 155.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.7 -5.51 16.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.0 p 36.04 48.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -78.1 164.44 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.478 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 32' ' ' LEU . 30.6 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.89 44.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.7 t -81.81 135.36 48.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.76 -20.53 34.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.7 m-20 -68.5 -10.75 57.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.3 20.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -96.62 144.01 27.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 64.3 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.57 125.52 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.933 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.4 mttp -114.65 143.55 44.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.933 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.97 -70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 165.63 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 27.88 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 16.9 ptt-85 -142.8 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 48.9 m-20 -88.72 8.69 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.08 -50.13 70.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.7 -8.31 23.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.54 6.51 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 67.0 t60 -109.8 -39.9 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.4 mt -78.14 -4.33 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -84.45 -62.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.68 28.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.61 9.81 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 48.7 t -107.47 133.14 20.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.6 mmtt -87.26 24.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.917 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.95 -21.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 25.3 mtp180 76.68 58.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.917 HD12 ' NH2' ' A' ' 43' ' ' ARG . 8.3 mt -143.97 104.03 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HZ2' ' C ' ' A' ' 51' ' ' GLY . 4.7 tttp -112.73 142.13 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.9 152.54 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.1 -7.25 56.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.03 -74.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 20.4 p -70.56 -19.98 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.526 ' C ' ' HZ2' ' A' ' 46' ' ' LYS . . . 53.13 65.19 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' ASP . 73.1 m -142.02 115.91 9.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.4 m-20 -36.32 140.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.404 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 16.0 m-85 -149.02 173.99 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.477 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -93.7 -172.11 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -81.82 -27.63 45.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -79.78 -21.15 44.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.51 -54.43 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.62 -23.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.9 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 p -80.97 -0.16 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 19.2 t60 -94.93 -11.79 27.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.95 -27.36 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.14 -23.04 6.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -112.91 67.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.68 137.5 21.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -32.34 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 3.1 mp0 -121.95 65.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.918 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 pt . . . . . 0 C--O 1.232 0.134 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.08 66.46 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.0 t -70.32 134.69 86.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.69 27.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.421 HD22 HD22 ' A' ' 36' ' ' LEU . 26.7 m-20 -62.23 -8.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp85 76.73 32.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.499 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 1.6 p -107.05 143.32 26.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 64.45 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 mmm -156.15 128.63 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.01 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.1 mtpt -116.78 142.54 46.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.01 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.8 -70.29 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 162.49 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -94.82 28.63 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -142.1 -43.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.93 10.25 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.68 -49.98 67.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.8 -8.19 22.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 5.87 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.1 t60 -109.05 -43.89 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.7 mt -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' GLY . 7.2 tt0 -80.49 -71.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.89 26.94 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.73 8.91 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 43.1 t -113.61 136.69 22.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.81 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 23' ' ' CYS . 1.7 mptt -96.28 27.95 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' LYS . 17.4 ptt-85 -34.55 -35.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 42' ' ' LYS . 46.7 mtt180 57.34 44.42 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.98 111.78 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.2 158.26 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.29 127.17 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.31 17.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -120.83 -55.28 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.3 p -101.95 -20.48 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.26 50.28 6.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 8.4 m -123.42 149.22 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.12 138.14 31.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 52' ' ' CYS . 74.4 m-85 -148.99 177.38 9.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 35.2 m -106.83 179.34 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -73.86 -22.61 77.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -86.88 -27.13 23.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.72 -51.58 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.0 t80 -44.13 -29.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.93 -52.62 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.8 t -72.07 -16.69 62.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' HD2' ' A' ' 67' ' ' PRO . 38.0 t60 -82.36 -22.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -77.86 131.02 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.33 -39.09 3.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 ttp -105.22 -75.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 t 60.2 138.71 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.465 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 53.3 Cg_endo -69.81 -35.32 12.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 10.8 mp0 -124.69 75.66 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 . . . . . 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 pt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 121.627 0.727 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.19 69.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.0 t -75.99 135.3 70.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.8 -19.84 35.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.528 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.7 m-20 -69.85 -11.56 60.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.89 21.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -97.0 143.11 25.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 64.43 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.391 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 120.49 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.581 ' C ' HD13 ' A' ' 27' ' ' LEU . 22.2 mttp -112.63 123.52 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.72 -70.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 169.01 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 28' ' ' SER . 27.8 ttp180 -91.1 27.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -142.41 -40.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.85 7.65 33.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.54 -49.23 71.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.946 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.8 -6.89 19.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.36 9.82 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.2 t60 -111.41 -37.69 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.528 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.7 mt -79.38 -5.97 55.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.32 -63.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.39 28.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -133.13 9.41 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.7 t -111.98 135.07 21.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.03 19.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -102.65 18.27 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -34.58 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' LYS . 21.1 mtp85 62.99 49.35 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 mt -118.19 119.06 33.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -135.84 147.04 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.3 131.45 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -82.43 17.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -124.32 -66.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.0 -21.86 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.14 54.82 6.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -128.04 123.21 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.37 141.89 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -148.67 165.66 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -92.19 177.99 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -77.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.21 -31.49 67.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -63.38 -59.17 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -41.28 -43.13 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.29 -39.25 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' ALA . 3.2 m -75.89 -22.33 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.55 -37.04 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -57.82 108.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.78 -38.08 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.9 mtp -107.65 24.2 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.07 138.07 97.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.97 15.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -125.26 79.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 . . . . . 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.917 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.763 HD11 ' C ' ' A' ' 28' ' ' SER . 0.2 OUTLIER . . . . . 0 N--CA 1.457 -0.078 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 . . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.86 68.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.6 t -71.66 135.27 83.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.7 -19.42 36.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.506 ' OD1' HD22 ' A' ' 36' ' ' LEU . 6.3 m-20 -69.95 -10.7 59.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.94 21.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.66 142.12 24.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 64.35 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.34 127.63 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.996 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.5 mttp -112.0 140.95 46.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.996 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -124.5 -70.33 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.763 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.1 t 159.33 175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG2' HD12 ' A' ' 17' ' ' ILE . 13.7 mmt180 -79.84 12.67 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -120.33 -46.92 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -91.48 11.13 25.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.673 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.4 tp -63.89 -49.99 72.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.84 -23.67 30.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.45 6.51 48.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.7 t60 -104.45 -43.22 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.1 mt -74.09 -6.57 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.9 tp60 -79.73 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -139.83 20.46 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -124.35 10.12 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.4 t -113.92 134.76 22.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 11.7 mmtt -110.17 28.87 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -36.25 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 62.0 50.25 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.87 103.98 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 52' ' ' CYS . 6.6 ttpm? -111.56 154.96 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.13 157.31 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -29.14 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 69' ' ' GLU . 5.2 m-30 -74.36 -62.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.6 p -87.4 -46.99 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.02 54.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.536 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.429 ' C ' ' HG3' ' A' ' 46' ' ' LYS . 6.7 m -133.21 135.25 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -47.72 142.22 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 22.5 m-85 -148.9 171.69 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.5 m -91.71 -179.77 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -66.21 -77.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 6.6 pt-20 -54.38 -36.03 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 57' ' ' GLU . . . -63.25 -60.33 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 2.1 t80 -40.24 -40.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -51.02 71.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -70.23 -20.67 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 66.4 t60 -83.31 -18.02 40.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.73 -28.42 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.29 -21.11 13.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.3 mmm -122.63 84.69 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 41.3 t -113.82 136.55 22.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.0 mm-40 -125.69 84.62 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.59 ' HG2' ' CE2' ' A' ' 49' ' ' PHE . 7.4 tm-20 . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.429 HG12 ' C ' ' A' ' 28' ' ' SER . 18.7 pt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.08 35.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.688 ' SG ' HD21 ' A' ' 36' ' ' LEU . 11.5 t -80.3 134.15 55.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.78 -25.4 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 22.7 m-20 -62.9 -11.49 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER 84.33 23.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.34 141.61 23.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 64.46 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.14 124.8 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.031 ' C ' HD13 ' A' ' 27' ' ' LEU . 29.2 mttt -114.36 143.82 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.031 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.22 -70.51 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.429 ' C ' HG12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 171.16 -167.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -95.26 23.33 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -141.98 -39.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -88.39 8.33 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -63.9 -50.1 71.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.93 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.72 -26.65 27.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.29 -7.5 58.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 51.3 t60 -99.51 -34.21 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.688 HD21 ' SG ' ' A' ' 19' ' ' CYS . 29.1 mt -80.8 -6.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.86 -61.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.23 33.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -138.58 11.85 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 51.7 t -110.24 134.91 20.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.6 mmmt -88.84 27.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 1.036 ' NH2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.57 -19.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 13.6 mmm180 77.36 56.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 1.036 HD22 ' NH2' ' A' ' 43' ' ' ARG . 2.1 mp -143.28 104.09 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -119.16 149.2 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.73 134.3 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.54 21.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.24 -65.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.1 p -87.29 -17.59 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.37 57.93 11.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 87.2 m -143.23 120.23 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.43 153.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 38.2 m-85 -149.0 -177.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -102.96 -173.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.11 -64.89 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.22 -15.87 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -97.81 -65.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 45' ' ' LEU . 8.3 t80 -41.29 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 2.1 tt0 -81.04 -43.64 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ALA . 93.7 p -85.25 -8.03 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -91.22 -18.71 23.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 2.3 pt-20 -78.31 46.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.37 -36.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 mtp -118.92 37.22 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.08 137.56 47.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.69 17.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -125.38 60.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.752 HD11 ' C ' ' A' ' 28' ' ' SER . 1.8 pp . . . . . 0 C--O 1.231 0.082 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.48 53.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.2 t -74.57 135.45 75.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -20.98 33.95 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.5 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 16.0 m-20 -70.61 -4.61 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER 74.73 36.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 146.0 34.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 64.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mmm -159.76 129.37 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.7 mttm -115.67 145.24 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -127.43 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.752 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.7 t 158.25 177.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . 6.0 mmm-85 -82.68 20.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -124.95 -48.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.59 7.15 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.677 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -57.49 -49.9 91.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.78 -21.6 33.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.44 8.58 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.2 t60 -108.13 -44.17 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -73.77 -3.97 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.0 tt0 -83.13 -71.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.14 21.15 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -126.61 10.51 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 40.3 t -114.86 135.51 22.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.87 11.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ARG . 13.0 mmtt -106.09 33.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.06 -28.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' LYS . 6.8 mmm180 62.28 46.71 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.41 103.92 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 148.37 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.5 t -88.66 113.99 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.12 0.36 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 4.3 m-85 -96.53 -52.38 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.1 p -106.02 -28.0 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 84.07 39.89 9.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 89.9 m -125.16 119.62 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.47 145.98 4.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.681 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 51.6 m-85 -147.71 171.37 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.98 177.59 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -69.76 -37.31 75.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -82.92 -32.08 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -48.57 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -49.24 -44.56 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -49.05 -53.56 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -73.7 -26.86 60.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.681 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 72.2 t60 -66.44 -20.32 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.25 130.79 43.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.43 -33.21 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' CYS . 11.0 ptm -94.13 -9.05 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' MET . 18.5 t -35.1 138.34 0.37 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.39 12.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 20.2 mt-30 -123.13 60.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.923 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.487 HD11 HD22 ' A' ' 32' ' ' LEU . 2.2 pt . . . . . 0 C--O 1.231 0.123 0 CA-C-O 121.655 0.741 . . . . 0.0 111.099 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.43 30.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 36' ' ' LEU . 35.4 t -52.05 134.49 39.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.78 -18.34 36.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -73.71 -7.15 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 77.02 36.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.02 145.28 31.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 64.97 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtp -158.89 116.63 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.642 ' C ' HD13 ' A' ' 27' ' ' LEU . 20.3 mttt -106.27 124.92 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.716 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -108.34 -70.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 159.8 176.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 52.6 mtp180 -80.03 13.57 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -120.24 -47.93 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -94.56 16.81 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.0 tp -65.97 -50.03 54.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.77 -35.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.91 -0.25 30.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 45.3 t60 -100.73 -40.12 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -76.4 -6.46 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -79.88 -68.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.35 24.83 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -130.11 9.84 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.6 t -113.12 134.49 21.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -31.44 20.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -109.64 31.51 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -42.33 -24.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 21.8 mtm180 70.16 50.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -133.79 105.8 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -115.42 149.03 38.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 42.7 t -79.3 131.32 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 14.4 pt-20 -83.54 19.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 28.1 m-85 -124.86 -63.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.3 p -89.4 -8.4 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.04 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.9 m -143.08 130.53 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 150.04 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.784 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 23.5 m-85 -148.14 168.32 22.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.98 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.52 -80.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.17 -29.56 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -56.0 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -40.58 -32.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -58.0 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 p -66.93 -12.07 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.784 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 29.9 t60 -93.19 -7.4 45.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.18 30.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.59 -37.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' A' ' 66' ' ' CYS . 3.4 ttt -109.5 -70.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 65' ' ' MET . 16.7 t 60.35 138.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.11 13.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.7 mp0 -123.51 83.45 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.961 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.458 ' CD1' ' CG ' ' A' ' 29' ' ' ARG . 2.2 pt . . . . . 0 C--O 1.231 0.127 0 CA-C-O 121.6 0.714 . . . . 0.0 111.162 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.54 57.46 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 51.5 t -65.1 135.6 96.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.44 27.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 8.2 m-20 -63.89 -8.04 9.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp180 77.1 37.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -112.83 144.32 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 64.66 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.59 119.56 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.0 mttm -107.66 128.66 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -110.09 -70.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 t 159.73 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 75.7 mtm180 -81.63 16.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -123.24 -47.19 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -94.3 13.8 22.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.674 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -64.88 -50.0 65.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.78 -23.09 31.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.6 7.4 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 55.4 t60 -105.55 -41.22 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt -77.3 -6.36 52.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -78.91 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.65 22.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -126.76 10.99 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.8 t -112.64 135.1 21.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.72 16.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 3.7 mmmt -105.27 30.85 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -46.61 -31.1 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 18.2 mtm180 75.46 46.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 mt -137.87 104.49 5.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 159.3 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.57 157.03 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -99.29 -29.91 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 11.1 m-30 -74.53 -71.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.2 p -80.26 -44.06 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.26 58.72 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 73.9 m -123.75 128.05 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.75 131.3 9.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 37.7 m-85 -145.43 173.48 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -93.21 -177.19 4.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.78 -27.85 40.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -91.21 -21.47 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -91.66 -52.45 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t80 -37.17 -44.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.36 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' ALA . 15.1 m -77.74 -15.1 59.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 79.1 t60 -83.71 -37.93 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.87 -19.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 -27.43 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.16 46.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.67 135.02 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.72 37.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -142.63 93.68 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.519 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER . . . . . 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.941 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 28' ' ' SER . 21.2 pt . . . . . 0 C--O 1.232 0.144 0 CA-C-O 121.65 0.738 . . . . 0.0 111.115 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.28 67.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 50.0 t -74.46 135.52 75.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.73 -21.34 33.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.58 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -67.94 -11.12 58.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.06 21.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.491 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -98.77 142.75 25.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.657 0.741 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.38 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.403 ' HE3' ' HB3' ' A' ' 25' ' ' MET . 2.3 mmm -157.59 127.95 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.995 ' C ' HD13 ' A' ' 27' ' ' LEU . 12.1 mttm -117.16 145.67 43.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.995 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.4 -70.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 169.41 -160.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -103.97 27.51 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -142.74 -39.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.88 7.2 35.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.683 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -63.11 -49.06 82.56 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.97 15.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 78.7 t60 -95.15 -44.51 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.58 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.2 mt -76.16 -8.24 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -78.38 -61.06 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.415 ' ND1' ' HG3' ' A' ' 57' ' ' GLU . 4.3 p80 -151.8 24.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -129.59 14.34 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' HIS . 50.3 t -111.04 132.62 21.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.491 ' HG3' ' CB ' ' A' ' 23' ' ' CYS . 5.9 mmtp -87.03 19.89 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.581 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -47.0 -21.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 62.58 53.99 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' NH2' ' A' ' 43' ' ' ARG . 3.3 mt -144.17 103.88 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 159.43 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.3 t -55.58 139.72 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.67 19.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 2.2 m-85 -128.76 -69.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.7 p -84.58 5.04 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.03 61.15 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ASP . 95.8 m -129.72 118.35 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.1 p30 -34.93 137.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -148.72 -176.24 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -104.99 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.93 -84.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' ND1' ' A' ' 38' ' ' HIS . 2.6 mt-10 -46.3 -44.15 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.34 -57.33 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.2 t80 -44.22 -34.2 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.41 -58.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -61.88 -19.56 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -76.15 -22.0 55.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.45 -14.8 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -27.73 5.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.38 74.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.6 137.18 19.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.45 7.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -125.25 73.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' CD1' ' A' ' 49' ' ' PHE . 10.5 tp10 . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 19.7 pt . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.684 0.754 . . . . 0.0 111.111 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.47 49.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' A' ' 36' ' ' LEU . 47.9 t -81.27 135.09 50.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.55 37.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.789 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.0 m-20 -74.19 -7.66 53.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.3 ptp180 81.07 18.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -92.24 139.75 24.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 64.35 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.385 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 mmm -154.44 136.29 14.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.3 mttm -119.27 136.56 54.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.82 -71.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER 158.38 175.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.481 ' CG ' HD13 ' A' ' 17' ' ' ILE . 13.3 mtp85 -78.78 10.51 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -118.72 -46.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.63 10.61 22.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.667 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.4 tp -65.15 -49.81 64.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 -27.28 26.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.285 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.47 -23.36 27.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 38.6 t60 -81.6 -36.1 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.789 HD22 ' OD1' ' A' ' 21' ' ' ASN . 56.2 mt -80.2 6.69 11.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 56' ' ' GLY . 20.2 tt0 -94.98 -58.67 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.5 OUTLIER -149.63 29.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -124.75 -22.53 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 35.3 t -74.29 129.5 84.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.9 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.7 mmtm -82.0 17.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -38.39 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 36.4 mtp85 46.66 56.62 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.59 115.93 22.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.21 144.82 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.9 t -66.63 135.89 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 2.5 pt-20 -81.41 15.02 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.517 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 73.3 m-85 -126.92 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 31.8 p -92.25 9.14 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' CYS . . . 37.37 60.48 1.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.5 m -132.33 142.44 49.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.82 139.93 57.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 33.5 m-85 -148.96 177.28 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -104.42 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -75.11 -65.31 2.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.02 -28.9 69.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.91 -55.17 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.8 t80 -45.55 -40.21 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.17 -53.67 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -68.86 -23.2 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 t60 -72.59 -22.46 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.76 -30.01 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.59 -21.14 22.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 ptp -124.75 111.14 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.0 t -139.45 137.0 18.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -34.94 13.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.74 67.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 . . . . . 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.892 HD11 HD22 ' A' ' 32' ' ' LEU . 32.3 pt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.54 65.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.52 135.03 86.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -19.53 35.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.527 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.6 m-20 -69.03 -10.85 59.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.86 22.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.12 140.88 22.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 64.42 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtp -155.31 117.05 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.686 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.7 mttt -106.51 121.92 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.09 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.6 t 160.04 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.622 ' CD ' HD13 ' A' ' 17' ' ' ILE . 17.9 mmt180 -80.8 15.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -122.25 -47.81 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -88.66 5.18 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 17' ' ' ILE . 6.7 tp -60.27 -50.41 86.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.8 -22.37 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.58 24.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 21.0 t60 -86.74 -38.66 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.527 HD22 ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -78.82 6.51 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HG3' ' CG ' ' A' ' 38' ' ' HIS . 6.2 tp60 -96.35 -48.7 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -156.0 32.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 2.6 t0 -128.93 -29.23 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 11.2 t -66.95 128.61 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.5 26.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.635 2.223 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 21.2 mttp -109.11 26.26 10.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LYS . 7.9 ptt-85 -37.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' LYS . 32.1 mtp85 61.83 52.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 15.2 mt -124.34 104.44 8.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 3.1 tmmm? -129.98 151.7 50.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 42.0 t -90.27 134.33 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.94 20.21 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -123.83 -75.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p -75.04 -26.41 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.97 56.62 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 57.2 m -140.45 129.89 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.84 153.82 23.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 60.3 m-85 -148.69 -175.96 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.685 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 5.2 m -114.65 155.32 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' LEU . . . -43.82 -32.15 2.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -87.89 -39.36 14.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -68.53 -58.13 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' ALA . 54.8 t80 -36.29 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -74.01 -46.76 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t -73.21 -15.03 61.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 14.7 t60 -84.62 -54.36 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.57 139.48 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.44 -17.35 40.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ttt -126.07 -72.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.346 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.94 134.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 -31.45 20.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.45 ' O ' ' C ' ' A' ' 69' ' ' GLU . 36.1 mm-40 -122.41 -13.39 8.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLN . 9.8 tp10 . . . . . 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 32' ' ' LEU . 4.9 pt . . . . . 0 C--O 1.231 0.117 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 153.88 68.13 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.44 135.6 84.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.59 33.11 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.604 ' OD1' HD22 ' A' ' 36' ' ' LEU . 2.7 m-20 -67.3 -11.59 57.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 84.33 22.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.73 142.82 25.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 64.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.282 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.402 ' HE3' ' HB3' ' A' ' 25' ' ' MET . 2.6 mmm -157.24 127.08 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.948 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.92 ' C ' HD13 ' A' ' 27' ' ' LEU . 14.3 mttp -113.93 142.39 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.85 -69.93 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 163.06 174.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' OG ' ' A' ' 28' ' ' SER . 42.8 mtm180 -78.69 10.62 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -119.55 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.51 9.97 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -63.22 -50.5 74.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.79 -20.19 35.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.17 6.56 48.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 74.6 t60 -106.02 -40.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' OD1' ' A' ' 21' ' ' ASN . 1.4 mt -76.86 -3.85 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 45.1 tt0 -84.58 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -147.29 27.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.07 7.57 4.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.4 t -105.23 130.76 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 33.6 mmtt -83.37 23.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.631 ' CZ ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -52.22 -21.89 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.5 65.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 12.5 mt -145.2 103.86 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 53' ' ' ASP . 7.8 tptt -101.66 159.99 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.6 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.8 t -89.07 111.12 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -10.22 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -87.3 -66.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.6 -42.23 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.07 56.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 56.1 m -145.62 123.18 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 4.8 p-10 -34.53 140.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 13.5 m-85 -149.05 -179.9 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -98.45 -172.59 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -78.0 -79.13 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -21.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.59 -57.28 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.4 t80 -36.99 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mm-40 -85.31 -59.97 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.4 p -68.99 -2.08 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.0 t60 -93.9 -4.52 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.45 -31.35 67.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.41 -33.25 20.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.444 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -93.17 -11.0 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.478 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 43.8 t -36.77 134.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.66 21.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -131.55 74.09 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HD22 ' A' ' 32' ' ' LEU . 3.9 pt . . . . . 0 C--O 1.231 0.111 0 CA-C-O 121.636 0.731 . . . . 0.0 111.156 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.06 64.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.23 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 53.9 t -70.77 134.46 86.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.77 -27.22 26.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.546 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -61.64 -8.75 4.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 4.8 mtp180 78.58 43.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . 0.435 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 1.2 p -121.77 144.58 41.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 64.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.14 119.79 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.671 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.5 mttp -111.63 127.99 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.6 -68.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 162.58 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -87.52 16.9 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -123.93 -47.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -88.46 4.12 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -59.1 -50.37 88.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.83 -10.03 27.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.273 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 6.65 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.4 t60 -107.36 -38.29 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' OD1' ' A' ' 21' ' ' ASN . 3.1 mt -81.0 -4.13 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.1 -55.94 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.85 25.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.588 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -130.71 10.56 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.3 t -109.65 129.44 23.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.76 3.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.27 . . . . 0.0 112.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.479 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.4 mmpt? -85.04 17.09 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.05 -19.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 24.8 mmm180 77.19 52.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 43' ' ' ARG . 11.1 mt -145.07 104.1 3.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 8.6 tttt -116.53 149.36 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.7 136.84 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.35 13.58 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -123.42 -74.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.6 p -76.39 -12.6 60.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.475 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 54.95 60.05 9.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 55.5 m -140.85 113.93 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' CYS . 20.4 m-20 -35.33 147.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 27.5 m-85 -148.13 170.81 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.48 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -95.13 -171.94 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -73.03 -58.05 4.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.41 -15.95 63.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.81 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' ALA . 13.9 t80 -37.6 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -77.12 -61.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -60.94 -14.91 25.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -87.14 -4.78 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -57.3 122.44 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.96 -41.97 2.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.4 tpt -80.42 87.93 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.3 t -123.78 133.73 24.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -28.45 25.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -126.38 81.38 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.918 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.152 0 CA-C-O 121.588 0.708 . . . . 0.0 111.176 . . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.57 68.38 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' HD21 ' A' ' 36' ' ' LEU . 10.6 t -76.36 134.03 70.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.716 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.14 30.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.782 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.9 m-20 -63.73 -11.31 25.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.18 23.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.64 139.75 21.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 64.17 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mmm -154.6 131.25 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.889 ' C ' HD13 ' A' ' 27' ' ' LEU . 31.9 mttt -115.01 132.83 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.889 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.05 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 159.83 174.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HA ' HD11 ' A' ' 17' ' ' ILE . 12.7 ttp180 -78.62 10.66 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -119.38 -46.88 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.33 8.33 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -63.7 -50.29 72.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.69 -25.11 29.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.65 -24.97 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' CYS . 41.9 t60 -80.24 -31.64 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.782 HD22 ' OD1' ' A' ' 21' ' ' ASN . 94.4 mt -84.55 8.86 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -98.22 -49.94 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CB ' ' H ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -156.42 28.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.462 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.7 t0 -124.51 -25.5 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' HIS . 11.8 t -71.89 126.0 91.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 47.1 mttt -83.53 23.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.796 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -51.37 -23.73 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 64.6 61.18 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.796 HD12 ' NH2' ' A' ' 43' ' ' ARG . 10.3 mt -137.63 104.21 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 9.5 tttt -105.89 159.89 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 41.2 t -76.48 142.41 40.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.82 19.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 39.1 m-85 -134.19 -75.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 29.5 p -73.54 -28.36 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 71.56 61.09 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.519 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 76.5 m -144.65 121.29 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.8 p30 -34.52 141.65 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 12.4 m-85 -148.61 -176.02 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -101.3 -178.85 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' CB ' ' A' ' 38' ' ' HIS . . . -66.54 -87.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.528 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.75 -25.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -76.38 -56.69 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.5 t80 -48.89 -21.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -56.34 3.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -76.15 -6.74 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.6 t60 -92.05 -15.51 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.74 -22.17 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.6 -26.48 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.5 mmt -113.36 31.48 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.5 t -61.13 137.6 94.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.804 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . 0.46 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.81 -36.42 10.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 41.0 mm-40 -122.04 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.445 ' HG3' ' CD2' ' A' ' 49' ' ' PHE . 32.0 tt0 . . . . . 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.414 HG12 ' C ' ' A' ' 28' ' ' SER . 3.5 pt . . . . . 0 C--O 1.23 0.065 0 CA-C-O 121.646 0.736 . . . . 0.0 111.13 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.59 69.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.736 ' SG ' HD21 ' A' ' 36' ' ' LEU . 5.3 t -79.58 134.03 58.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.59 33.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.732 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.9 m-20 -66.63 -10.97 51.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.06 22.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.27 139.73 22.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 64.26 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtp -152.87 132.7 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.57 ' C ' HD13 ' A' ' 27' ' ' LEU . 25.3 mttm -117.25 115.48 25.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.767 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -97.15 -70.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER 160.68 -175.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 mmm-85 -88.32 20.19 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -134.07 -41.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -88.55 7.39 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -64.74 -50.01 66.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.915 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.77 -25.91 28.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.54 -21.69 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 32.9 t60 -84.11 -34.77 24.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.736 HD21 ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -80.52 6.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -95.08 -51.83 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.33 30.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 6.3 t0 -125.95 -26.94 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' HIS . 7.6 t -69.0 124.13 89.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.22 8.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 16.0 mmtm -93.54 22.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -49.17 -20.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 35.8 mmm-85 76.79 52.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 13.1 mt -142.92 104.07 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.0 ttpm? -114.1 159.33 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 42.4 t -72.31 140.1 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.0 19.4 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -128.58 -74.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 p -74.14 -32.99 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' CA ' ' HD2' ' A' ' 46' ' ' LYS . . . 80.83 55.86 3.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 72.9 m -140.4 118.08 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' CYS . 43.0 p-10 -34.72 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 21.3 m-85 -147.47 169.55 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.448 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 1.4 m -92.96 -177.83 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -68.75 -78.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.73 -25.12 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -74.95 -64.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ALA . 12.2 t80 -36.06 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' ALA . 5.4 mm-40 -74.61 -49.84 20.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ALA . 45.5 m -71.64 -18.03 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -74.17 -22.79 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.33 128.6 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.25 -40.51 3.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.74 39.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.8 t -84.36 134.61 42.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -30.81 21.85 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -124.33 70.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.94 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.472 HD11 ' O ' ' A' ' 28' ' ' SER . 4.3 pt . . . . . 0 C--O 1.231 0.098 0 CA-C-O 121.624 0.726 . . . . 0.0 111.135 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.25 53.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.642 ' SG ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -65.29 134.17 95.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.707 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -16.11 37.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 29.0 m-20 -74.68 -10.18 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 84.27 22.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.26 140.14 22.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 64.71 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.78 128.84 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.847 ' C ' HD13 ' A' ' 27' ' ' LEU . 69.3 mttt -112.23 130.01 56.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -113.43 -70.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 161.31 177.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 28' ' ' SER . 19.8 mtt180 -82.31 17.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 -44.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -88.28 14.81 8.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -65.03 -50.13 63.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 -40.02 5.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.91 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 48.5 t60 -97.05 -40.08 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' SG ' ' A' ' 19' ' ' CYS . 11.6 mt -75.96 -5.26 45.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -82.9 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.85 25.84 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.63 9.26 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.4 t -113.26 134.62 21.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.49 6.35 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -100.44 32.57 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 53.27 52.42 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 mt -115.25 106.32 13.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -110.24 146.69 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 t -81.8 125.84 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 48' ' ' GLU . 2.4 tp10 -76.03 -13.65 60.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 9.4 m-30 -81.82 -65.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 17.6 p -87.75 -50.0 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.49 41.71 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -122.8 169.48 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -93.29 143.83 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -148.81 -176.66 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 1.2 m -114.75 179.99 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.04 -64.81 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.34 -35.89 81.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -63.35 -54.88 30.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -52.12 -38.92 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -43.84 -57.11 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -70.6 -40.99 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' GLU . 53.2 t60 -62.77 -16.86 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 64' ' ' GLY . 8.7 tp10 -35.1 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.453 ' N ' ' HG3' ' A' ' 63' ' ' GLU . . . -82.32 -12.36 80.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -90.8 43.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 40.2 t -88.13 137.05 31.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.654 0.74 . . . . 0.0 110.819 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.19 15.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 2.7 mp0 -122.47 82.03 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 4.6 tm-20 . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD22 ' A' ' 32' ' ' LEU . 7.5 pt . . . . . 0 C--O 1.231 0.13 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.17 32.33 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 36' ' ' LEU . 36.0 t -58.45 134.48 85.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -26.53 27.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 21.5 m-20 -64.95 -6.38 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 16.4 mtp180 76.85 49.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.72 142.58 41.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 64.51 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtp -157.98 117.54 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.602 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.9 mttm -104.84 124.24 49.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -107.91 -70.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 159.38 177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.532 ' CD ' HD13 ' A' ' 17' ' ' ILE . 12.7 mmm180 -78.75 13.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -121.72 -46.61 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -88.72 7.72 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.1 tp -65.99 -50.29 53.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.75 -28.92 24.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.66 -22.19 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' CYS . 52.2 t60 -78.7 -33.64 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -83.04 -2.2 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tm0? -86.59 -58.85 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.8 OUTLIER -150.25 29.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.459 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -132.53 4.05 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.5 t -102.08 134.15 20.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.81 6.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 44' ' ' ARG . 8.7 mmmt -92.78 24.1 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 54' ' ' PHE . 3.8 ptt180 -36.28 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' LYS . 34.3 mtp180 61.82 40.21 13.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.88 111.73 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -122.19 136.75 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.34 129.9 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.77 28.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 2.1 m-85 -131.3 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.6 p -85.0 -37.55 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.03 52.11 2.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 16.4 m -141.23 137.75 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.97 141.83 57.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 60.2 m-85 -143.5 175.4 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m -98.51 -175.03 2.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -72.95 -58.33 4.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -64.16 -22.21 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.47 ' N ' ' OE1' ' A' ' 57' ' ' GLU . . . -87.15 -55.47 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -45.62 -31.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.2 -52.18 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 t -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 49.8 t60 -91.89 -9.76 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.43 -31.99 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.76 -21.34 9.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 65' ' ' MET . 3.2 ttp -103.3 14.74 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 t -60.07 138.88 91.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.68 12.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 5.1 mt-30 -124.2 83.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.91 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 32' ' ' LEU . 5.6 pt . . . . . 0 C--O 1.232 0.132 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.31 66.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.8 t -73.71 134.02 79.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.99 35.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.8 m-20 -68.44 -10.59 56.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.0 22.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 p -97.05 139.62 21.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 64.1 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mmm -155.47 131.81 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.983 ' C ' HD13 ' A' ' 27' ' ' LEU . 68.0 mttt -115.06 136.87 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.15 -71.19 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER 158.63 175.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 17' ' ' ILE . 31.4 mtp180 -79.02 11.7 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -119.52 -47.22 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -88.59 7.95 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.2 tp -63.41 -50.23 74.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 -22.14 32.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.55 -26.84 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' CYS . 40.9 t60 -78.08 -33.42 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.74 HD22 ' OD1' ' A' ' 21' ' ' ASN . 74.1 mt -82.94 9.17 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -98.66 -50.24 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 28.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.0 t0 -125.41 -25.38 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' HIS . 9.2 t -71.49 124.48 91.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.55 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 3.8 mmtp -84.22 18.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.21 -20.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD22 ' A' ' 45' ' ' LEU . 21.5 mmm180 76.9 55.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' CG ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -122.84 104.9 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -127.51 137.49 52.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.71 158.06 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.45 -28.4 13.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -84.72 -70.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 15.9 p -73.71 -29.01 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.24 59.2 6.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 61.5 m -134.59 130.82 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -54.04 141.92 26.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 45.1 m-85 -148.76 166.75 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -97.68 -173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.4 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -71.15 -35.44 64.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.31 -26.12 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.366 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.99 -60.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.866 ' CG ' HD12 ' A' ' 45' ' ' LEU . 51.9 t80 -45.05 -30.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.54 -60.04 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -75.74 -5.13 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 58' ' ' ALA . 37.6 t60 -91.07 -13.24 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.87 -24.38 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.68 -23.8 7.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.2 mtp -120.27 86.26 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.8 136.94 19.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.43 22.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.0 mt-30 -124.55 77.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.862 HD11 HD22 ' A' ' 32' ' ' LEU . 25.6 pt . . . . . 0 C--O 1.231 0.106 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 144.88 55.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.488 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.7 t -67.1 133.73 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.45 27.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 25.7 m-20 -63.91 -7.05 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 8.0 mtt85 78.78 48.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -126.0 140.5 37.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 64.56 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mtp -155.4 117.5 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.711 ' C ' HD13 ' A' ' 27' ' ' LEU . 13.6 mttm -103.49 123.14 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.711 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.28 -69.97 0.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 160.12 175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.581 ' CG ' HD13 ' A' ' 17' ' ' ILE . 66.3 mtp180 -80.14 12.9 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -121.21 -47.18 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.97 4.04 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.862 HD22 HD11 ' A' ' 17' ' ' ILE . 6.5 tp -58.1 -50.21 89.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.8 -31.09 21.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.45 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.3 t60 -85.35 -30.05 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.488 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.4 mt -85.69 -4.6 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -54.41 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 30.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -134.07 8.96 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.9 t -107.52 130.81 22.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.459 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 12.6 mmtm -96.46 31.44 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.85 -20.39 8.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.32 50.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . 0.476 HD13 ' NH2' ' A' ' 43' ' ' ARG . 11.9 mt -145.04 104.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.21 156.9 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -55.79 147.0 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.58 22.72 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' OE2' ' A' ' 69' ' ' GLU . 82.0 m-85 -129.54 -56.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 p -94.87 2.34 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.08 59.58 2.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASP . 91.3 m -135.68 117.8 15.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' CYS . 14.2 p-10 -35.82 142.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -146.04 -175.98 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.454 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -106.98 -174.98 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.86 -60.52 3.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.38 -22.47 62.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.42 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.3 t80 -53.74 -23.93 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.57 -58.59 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -63.72 -10.6 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -84.12 -11.49 56.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.3 -10.37 57.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.8 -9.83 34.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttp -148.97 114.92 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 46.7 t -130.42 134.84 26.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.57 12.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -122.08 75.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 49' ' ' PHE . 3.8 tp10 . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 19.2 pt . . . . . 0 C--O 1.232 0.136 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.97 69.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.3 t -69.86 135.14 87.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.473 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 -22.93 31.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.5 m-20 -66.43 -7.26 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 5.9 mtp85 78.0 27.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.03 144.34 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 64.21 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 25' ' ' MET . 1.5 mmm -159.78 127.59 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' LYS . . . . . 0.936 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.2 mttp -118.7 143.59 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' LEU . . . . . 0.936 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.34 -71.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 11.4 t 170.22 -177.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.48 ' N ' ' OG ' ' A' ' 28' ' ' SER . 56.7 mtp180 -87.94 24.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -138.27 -41.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.88 7.66 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.56 -49.1 72.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 -6.76 19.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.37 7.14 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.4 t60 -108.86 -39.16 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mt -77.05 -3.53 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.4 tt0 -85.14 -66.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.88 27.22 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' ASP . . . . . 0.57 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -133.66 10.26 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' CYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 52.3 t -111.53 131.59 22.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.8 6.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -101.59 33.27 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -32.86 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 61.66 54.36 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -130.13 103.89 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.47 157.72 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.62 127.29 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 18.9 pt-20 -81.74 16.09 1.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 9.3 m-85 -116.5 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.7 p -93.4 -32.05 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.53 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.29 148.57 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.87 143.29 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 30.2 m-85 -144.86 145.13 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.43 146.22 42.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . 72.22 -176.59 40.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.97 -14.44 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.68 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.0 -31.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.56 -53.66 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -64.94 -11.83 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 47.5 t60 -83.12 -9.67 59.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.47 -25.33 65.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.49 -31.26 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 ttt -113.74 69.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 t -107.97 138.64 20.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -39.62 6.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 6.4 mp0 -121.15 71.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 . . . . . 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.923 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.263 0 N-CA-C 112.421 -0.272 . . . . 0.0 112.421 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 86.6 p -128.46 95.96 4.28 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-O 120.856 0.36 . . . . 0.0 110.874 -179.766 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.5 t -146.0 140.1 26.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.84 -179.801 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 127.03 -43.7 1.31 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.475 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.3 m 59.1 55.0 4.6 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.866 0.365 . . . . 0.0 110.833 -179.767 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 18.3 p -153.94 177.8 10.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.874 -179.84 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -50.87 144.77 11.61 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.475 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 68.4 t60 -125.48 164.34 20.68 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.847 0.356 . . . . 0.0 110.841 -179.925 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 7.3 mt -50.48 -177.92 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.425 ' ND2' ' N ' ' A' ' 10' ' ' ASN . 0.1 OUTLIER -146.37 135.7 22.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.881 179.956 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 3.6 t -93.68 178.78 5.58 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.179 179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 17.8 m -103.19 79.25 1.71 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 74.2 p -56.29 161.85 2.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.872 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 5.9 p90 -138.4 154.95 48.9 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.891 -179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 57.28 45.31 20.5 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.91 -179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.498 HG23 ' N ' ' A' ' 17' ' ' ILE . 1.1 m -134.71 -177.71 2.2 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.573 HD11 HD23 ' A' ' 32' ' ' LEU . 30.6 pt -130.1 147.31 65.15 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.602 0.715 . . . . 0.0 111.125 179.944 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 161.89 44.21 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.632 2.222 . . . . 0.0 112.353 179.888 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.491 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.7 t -81.81 135.36 48.93 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.669 0.747 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.496 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.9 Cg_endo -69.76 -20.53 34.74 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.694 2.263 . . . . 0.0 112.363 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.536 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.7 m-20 -68.5 -10.75 57.62 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.875 -179.992 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.496 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.3 20.66 0.19 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.835 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -96.62 144.01 27.11 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.667 0.746 . . . . 0.0 110.865 179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 64.3 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.706 2.271 . . . . 0.0 112.34 179.927 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.57 125.52 5.4 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.86 179.869 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.933 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.4 mttp -114.65 143.55 44.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.941 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.933 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.97 -70.11 0.8 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.944 179.917 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.422 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 165.63 -169.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.856 -179.964 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -94.92 27.88 2.96 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.831 -179.916 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . 0.474 ' HG3' ' N ' ' A' ' 31' ' ' ASP . 16.9 ptt-85 -142.8 -41.97 0.32 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.474 ' N ' ' HG3' ' A' ' 30' ' ' ARG . 48.9 m-20 -88.72 8.69 27.47 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.08 -50.13 70.49 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.587 0.708 . . . . 0.0 110.902 -179.946 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.7 -8.31 23.27 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.678 2.252 . . . . 0.0 112.356 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.54 6.51 26.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.09 179.896 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.572 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 67.0 t60 -109.8 -39.9 4.96 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.829 -179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.536 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.4 mt -78.14 -4.33 46.93 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.945 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.4 tp-100 -84.45 -62.17 1.62 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.927 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.68 28.29 0.87 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.885 -179.994 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.568 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.61 9.81 4.31 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.876 -179.989 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.572 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 48.7 t -107.47 133.14 20.5 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.643 0.735 . . . . 0.0 110.895 -179.906 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -51.06 0.41 Allowed 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.698 2.265 . . . . 0.0 112.37 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.406 ' C ' ' N ' ' A' ' 44' ' ' ARG . 18.6 mmtt -87.26 24.9 1.48 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.911 179.881 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.917 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -44.95 -21.86 0.07 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 179.98 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.406 ' N ' ' C ' ' A' ' 42' ' ' LYS . 25.3 mtp180 76.68 58.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.902 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.917 HD12 ' NH2' ' A' ' 43' ' ' ARG . 8.3 mt -143.97 104.03 4.1 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.87 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.526 ' HZ2' ' C ' ' A' ' 51' ' ' GLY . 4.7 tttp -112.73 142.13 45.71 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.878 179.836 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 17.5 t -60.9 152.54 27.18 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.9 mm-40 -89.1 -7.25 56.16 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.918 179.987 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 80.3 m-85 -112.03 -74.76 0.63 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.814 -179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.469 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 20.4 p -70.56 -19.98 62.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.93 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.526 ' C ' ' HZ2' ' A' ' 46' ' ' LYS . . . 53.13 65.19 3.54 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.519 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.421 ' O ' ' C ' ' A' ' 53' ' ' ASP . 73.1 m -142.02 115.91 9.26 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 120.799 0.333 . . . . 0.0 110.904 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.421 ' C ' ' O ' ' A' ' 52' ' ' CYS . 40.4 m-20 -36.32 140.87 0.12 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.404 ' O ' ' NE ' ' A' ' 43' ' ' ARG . 16.0 m-85 -149.02 173.99 12.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.913 -179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.477 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -93.7 -172.11 2.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.892 -179.826 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.424 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -81.82 -27.63 45.49 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.486 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 13.9 tp10 -79.78 -21.15 44.73 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.87 0.367 . . . . 0.0 110.907 -179.876 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.493 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.51 -54.43 3.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 16.9 t80 -48.62 -23.63 1.08 Allowed 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.9 mm-40 -77.9 -62.01 1.81 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 51.0 p -80.97 -0.16 38.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.903 -179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.503 ' O ' ' CD2' ' A' ' 62' ' ' HIS . 19.2 t60 -94.93 -11.79 27.98 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.4 tp10 -63.95 -27.36 69.09 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -108.14 -23.04 6.88 Favored Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.458 -179.981 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.4 mmt -112.91 67.66 0.66 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.787 0.327 . . . . 0.0 110.84 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.8 t -95.68 137.5 21.91 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.599 0.714 . . . . 0.0 110.877 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.77 -32.34 18.72 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.644 2.23 . . . . 0.0 112.304 179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.469 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 3.1 mp0 -121.95 65.01 0.91 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.929 -179.973 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 8.3 pt-20 -65.76 -35.35 80.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 -179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 21.5 t -118.73 -68.38 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.841 -179.762 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 10.6 t -45.97 128.42 9.09 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 -179.78 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -126.85 -162.07 11.08 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.486 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.79 159.2 54.27 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.671 2.248 . . . . 0.0 112.338 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 3.9 m -65.54 -67.62 0.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.808 -179.759 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 78.1 p -112.85 97.03 6.29 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.814 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 CA-C-O 119.092 -0.838 . . . . 0.0 112.436 179.98 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.9 m -149.71 -179.55 7.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.88 -179.77 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -118.43 29.18 7.9 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.843 -179.826 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.37 -174.82 25.7 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.481 -179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -75.89 67.31 2.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.874 0.369 . . . . 0.0 110.823 -179.701 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.4 t -110.76 135.18 51.73 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.848 -179.814 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -63.83 -132.96 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.522 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.507 ' O ' ' CG ' ' A' ' 8' ' ' HIS . 34.1 t-80 49.9 47.11 23.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.815 0.341 . . . . 0.0 110.865 -179.965 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 5.3 mp -58.89 157.03 10.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.912 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 3.1 p-10 -147.56 155.42 41.83 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.87 179.924 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 21.7 p -45.36 109.44 0.17 Allowed 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.146 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 4.3 m -159.15 128.82 5.57 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.908 -179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 58.9 m -60.99 90.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.833 -179.734 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 21.5 t80 -92.63 114.78 27.43 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.825 -179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.3 p30 -115.72 128.64 56.03 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.868 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.4 m -130.32 173.96 13.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.172 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 18.7 pt -131.82 150.5 76.36 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.608 0.718 . . . . 0.0 111.127 179.936 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 149.08 66.46 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.73 2.286 . . . . 0.0 112.339 179.879 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.0 t -70.32 134.69 86.87 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.629 0.728 . . . . 0.0 110.864 -179.999 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -26.69 27.56 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.271 . . . . 0.0 112.356 179.905 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.421 HD22 HD22 ' A' ' 36' ' ' LEU . 26.7 m-20 -62.23 -8.13 5.25 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.876 -179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.406 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp85 76.73 32.33 0.53 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 -179.908 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.499 ' CB ' ' HD3' ' A' ' 42' ' ' LYS . 1.6 p -107.05 143.32 26.87 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.616 0.722 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 64.45 1.76 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.7 2.267 . . . . 0.0 112.351 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.5 mmm -156.15 128.63 7.7 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.887 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.01 ' C ' HD13 ' A' ' 27' ' ' LEU . 17.1 mtpt -116.78 142.54 46.78 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.937 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.01 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.8 -70.29 0.79 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.907 179.946 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.477 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 162.49 -169.76 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.872 -179.899 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 29.5 mmm-85 -94.82 28.63 2.63 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.877 -179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 19.4 ttm180 -142.1 -43.05 0.34 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -88.93 10.25 22.04 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.869 179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.68 -49.98 67.04 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.558 0.694 . . . . 0.0 110.941 -179.97 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.8 -8.19 22.98 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.664 2.243 . . . . 0.0 112.302 179.9 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 5.87 24.79 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.126 179.848 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.577 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.1 t60 -109.05 -43.89 4.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 3.7 mt -73.65 -7.78 53.37 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 56' ' ' GLY . 7.2 tt0 -80.49 -71.07 0.48 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.932 179.946 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -139.89 26.94 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.889 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.464 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.73 8.91 4.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.869 179.998 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.577 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 43.1 t -113.61 136.69 22.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.585 0.707 . . . . 0.0 110.91 -179.898 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 -47.81 0.85 Allowed 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.673 2.248 . . . . 0.0 112.34 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.499 ' HD3' ' CB ' ' A' ' 23' ' ' CYS . 1.7 mptt -96.28 27.95 3.49 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.443 ' C ' ' O ' ' A' ' 42' ' ' LYS . 17.4 ptt-85 -34.55 -35.94 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.847 179.956 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 42' ' ' LYS . 46.7 mtt180 57.34 44.42 21.75 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.883 -179.865 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.1 mt -95.98 111.78 23.69 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.932 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 76.5 tttt -121.2 158.26 28.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.8 t -90.29 127.17 36.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.932 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 pm0 -82.31 17.45 1.69 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 5.5 m-85 -120.83 -55.28 2.0 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.884 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.3 p -101.95 -20.48 14.82 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.876 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.26 50.28 6.85 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.779 -0.725 . . . . 0.0 112.49 179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.472 ' HB3' ' CZ ' ' A' ' 54' ' ' PHE . 8.4 m -123.42 149.22 45.31 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.808 0.337 . . . . 0.0 110.915 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -89.12 138.14 31.69 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.872 -179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.472 ' CZ ' ' HB3' ' A' ' 52' ' ' CYS . 74.4 m-85 -148.99 177.38 9.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.874 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.435 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 35.2 m -106.83 179.34 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.855 -179.816 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.426 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -73.86 -22.61 77.92 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.529 -179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 21.6 tt0 -86.88 -27.13 23.6 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.901 0.381 . . . . 0.0 110.847 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -97.72 -51.58 4.05 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.082 179.96 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.469 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.0 t80 -44.13 -29.52 0.63 Allowed 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.28 -0.418 . . . . 0.0 110.934 -179.887 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 8.5 mm-40 -58.93 -52.62 64.96 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.877 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 43.8 t -72.07 -16.69 62.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.878 -179.802 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.465 ' CE1' ' HD2' ' A' ' 67' ' ' PRO . 38.0 t60 -82.36 -22.09 35.64 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 179.944 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 11.4 tp10 -77.86 131.02 37.34 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.33 -39.09 3.0 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.493 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.2 ttp -105.22 -75.02 0.64 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.817 0.342 . . . . 0.0 110.862 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.4 t 60.2 138.71 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.657 0.742 . . . . 0.0 110.847 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.465 ' HD2' ' CE1' ' A' ' 62' ' ' HIS . 53.3 Cg_endo -69.81 -35.32 12.72 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.733 2.289 . . . . 0.0 112.33 179.979 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 10.8 mp0 -124.69 75.66 1.44 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.968 179.969 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 62.1 tt0 -72.68 -23.72 60.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.927 -179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 12.7 m -118.07 -178.39 3.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.867 -179.801 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 83.3 p -79.57 104.17 9.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.856 -179.827 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -60.94 -174.44 1.21 Allowed Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.768 -0.729 . . . . 0.0 112.463 -179.962 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 75.76 1.2 Allowed 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.321 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 38.9 m -116.08 -32.98 5.2 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.837 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -125.61 142.59 51.43 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.793 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.127 -0.818 . . . . 0.0 112.47 179.979 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 N-CA-C 112.516 -0.234 . . . . 0.0 112.516 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 26.5 p -106.6 109.71 21.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.908 0.385 . . . . 0.0 110.872 -179.773 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 45.3 t 56.6 40.17 29.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.853 -179.819 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -76.31 140.24 25.17 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.9 t -157.64 152.79 25.81 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.899 0.38 . . . . 0.0 110.839 -179.708 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 58.0 m -118.87 164.51 15.31 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.895 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -156.22 75.5 0.22 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.745 -0.741 . . . . 0.0 112.466 -179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 10.6 m-70 -77.33 173.3 12.08 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.824 0.345 . . . . 0.0 110.861 -179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.504 HD13 ' N ' ' A' ' 10' ' ' ASN . 0.2 OUTLIER -94.37 127.06 40.02 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.905 -179.963 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.504 ' N ' HD13 ' A' ' 9' ' ' LEU . 4.7 t30 -102.21 86.04 2.77 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.858 179.938 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.8 m -71.07 107.66 4.24 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.151 179.992 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.2 t -119.34 176.41 5.35 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.4 p -126.76 108.89 11.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.909 -179.784 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.425 ' O ' HG13 ' A' ' 16' ' ' VAL . 13.4 t80 -168.15 139.7 2.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.825 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.7 m120 -57.38 135.75 56.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.868 -179.949 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.425 HG13 ' O ' ' A' ' 14' ' ' PHE . 10.2 m -134.55 -176.72 1.74 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.15 179.906 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 4.7 pt -132.72 152.08 79.27 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.627 0.727 . . . . 0.0 111.136 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 152.19 69.27 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.681 2.254 . . . . 0.0 112.324 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 46.0 t -75.99 135.3 70.59 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.625 0.726 . . . . 0.0 110.846 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.486 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.1 Cg_endo -69.8 -19.84 35.42 Favored 'Trans proline' 0 C--N 1.341 0.134 0 C-N-CA 122.685 2.257 . . . . 0.0 112.37 179.925 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.528 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.7 m-20 -69.85 -11.56 60.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 179.982 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.508 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.89 21.56 0.15 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.864 -179.96 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -97.0 143.11 25.56 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.657 0.741 . . . . 0.0 110.878 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.68 64.43 1.75 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.665 2.244 . . . . 0.0 112.391 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 120.49 4.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.894 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.581 ' C ' HD13 ' A' ' 27' ' ' LEU . 22.2 mttp -112.63 123.52 50.49 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.756 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -100.72 -70.93 0.72 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.916 179.945 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.451 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 0.0 OUTLIER 169.01 -174.68 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.905 -179.915 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.451 ' N ' ' OG ' ' A' ' 28' ' ' SER . 27.8 ttp180 -91.1 27.4 1.87 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.866 -179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.7 mpt_? -142.41 -40.58 0.34 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.86 -179.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 21.1 m-20 -88.85 7.65 33.19 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.823 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.678 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.54 -49.23 71.93 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.604 0.716 . . . . 0.0 110.946 -179.956 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.678 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.0 Cg_endo -69.8 -6.89 19.7 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.662 2.241 . . . . 0.0 112.357 179.862 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -114.36 9.82 16.96 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.101 179.883 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.567 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 51.2 t60 -111.41 -37.69 5.18 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.843 -179.995 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.528 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.7 mt -79.38 -5.97 55.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.89 -179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 7.5 tt0 -82.32 -63.74 1.32 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.931 179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -146.39 28.44 1.09 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 179.99 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.527 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -133.13 9.41 4.1 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.938 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.567 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.7 t -111.98 135.07 21.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.621 0.724 . . . . 0.0 110.888 -179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -32.03 19.27 Favored 'Trans proline' 0 C--O 1.231 0.171 0 C-N-CA 122.651 2.234 . . . . 0.0 112.351 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.495 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -102.65 18.27 21.72 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.866 179.908 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.464 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -34.58 -32.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.904 179.977 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.495 ' N ' ' O ' ' A' ' 42' ' ' LYS . 21.1 mtp85 62.99 49.35 3.5 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.893 -179.929 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 20.7 mt -118.19 119.06 33.57 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.934 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 6.2 ttpm? -135.84 147.04 48.09 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.909 179.817 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.6 t -64.3 131.45 47.33 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.855 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.7 pt-20 -82.43 17.36 1.75 Allowed 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.897 -179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 53.2 m-85 -124.32 -66.29 0.99 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.863 -179.947 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.8 p -88.0 -21.86 24.58 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.869 -179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 74.14 54.82 6.07 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.513 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -128.04 123.21 34.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.837 0.351 . . . . 0.0 110.89 -179.851 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 10.6 m-20 -47.37 141.89 4.49 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.869 -179.977 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 12.3 m-85 -148.67 165.66 30.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.867 -179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.3 m -92.19 177.99 5.99 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.798 -179.738 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.34 -77.46 0.19 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.477 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -58.21 -31.49 67.39 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.811 0.338 . . . . 0.0 110.872 -179.897 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.409 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -63.38 -59.17 5.04 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.218 -0.447 . . . . 0.0 111.114 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 7.7 t80 -41.28 -43.13 2.34 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.966 -179.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 9.9 mt-10 -55.29 -39.25 69.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.065 -0.516 . . . . 0.0 110.916 -179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.409 ' N ' ' O ' ' A' ' 58' ' ' ALA . 3.2 m -75.89 -22.33 56.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.856 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 80.2 t60 -76.55 -37.04 57.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.868 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 51.2 mt-10 -57.82 108.36 0.57 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.879 -179.892 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 118.78 -38.08 2.99 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.51 -179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 43.9 mtp -107.65 24.2 13.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.869 0.366 . . . . 0.0 110.857 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 21.5 t -63.07 138.07 97.23 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.603 0.716 . . . . 0.0 110.879 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -33.97 15.61 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.695 2.263 . . . . 0.0 112.332 179.945 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.9 mm100 -125.26 79.1 1.77 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.932 -179.974 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 15.2 mt-10 -81.07 0.86 34.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.852 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 11.2 t -151.58 155.26 38.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.876 -179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 7.2 m -54.64 162.72 1.1 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.853 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 177.78 146.47 6.35 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.515 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -172.68 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.675 2.25 . . . . 0.0 112.314 -179.923 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -98.2 103.48 15.43 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.859 -179.838 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.9 m -99.24 122.7 42.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.792 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 CA-C-O 119.153 -0.804 . . . . 0.0 112.494 -179.951 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.484 -0.247 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.7 t -84.75 63.3 7.91 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.898 0.38 . . . . 0.0 110.817 -179.727 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.6 p -135.37 168.8 18.54 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.811 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -63.28 154.72 44.37 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.515 -179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.0 t -121.7 -179.43 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.856 0.36 . . . . 0.0 110.893 -179.738 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 2.0 m -86.03 168.15 14.37 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.85 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.2 -179.56 0.65 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.48 179.998 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 2.9 p-80 -73.21 176.16 6.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.816 0.341 . . . . 0.0 110.827 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.7 mp -54.67 164.52 0.74 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 36.1 m120 -70.35 -177.38 1.43 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.888 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -75.87 162.92 27.72 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.15 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 5.3 m -60.94 -174.66 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.854 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 2.7 m -125.89 26.42 6.61 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.854 -179.746 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.424 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 35.9 m-85 -100.86 134.78 43.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.87 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 88.8 m-20 54.99 30.43 14.12 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.882 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.476 ' CG1' ' O ' ' A' ' 27' ' ' LEU . 0.3 OUTLIER -121.05 166.98 14.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.116 179.941 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.892 HD13 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -122.87 151.06 60.32 Favored Pre-proline 0 C--N 1.328 -0.352 0 CA-C-O 121.625 0.726 . . . . 0.0 111.152 179.902 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.83 153.86 68.12 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.493 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.6 t -71.66 135.27 83.64 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.604 0.716 . . . . 0.0 110.916 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.419 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.7 -19.42 36.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.677 2.251 . . . . 0.0 112.373 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.506 ' OD1' HD22 ' A' ' 36' ' ' LEU . 6.3 m-20 -69.95 -10.7 59.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.506 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.4 OUTLIER 83.94 21.94 0.14 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 -179.962 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -99.66 142.12 24.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.647 0.737 . . . . 0.0 110.851 -179.913 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 64.35 1.8 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.68 2.253 . . . . 0.0 112.359 179.946 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -154.34 127.63 8.46 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.877 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.996 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.5 mttp -112.0 140.95 46.25 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.883 179.996 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.996 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -124.5 -70.33 0.76 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.928 179.95 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.763 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.1 t 159.33 175.57 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.832 -179.958 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.473 ' HG2' HD12 ' A' ' 17' ' ' ILE . 13.7 mmt180 -79.84 12.67 2.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.915 -179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.7 mtm180 -120.33 -46.92 2.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.883 -179.909 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.0 m-20 -91.48 11.13 25.02 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.903 179.938 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.673 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.4 tp -63.89 -49.99 72.57 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.585 0.707 . . . . 0.0 110.899 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.673 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.84 -23.67 30.16 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.688 2.259 . . . . 0.0 112.315 179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.45 6.51 48.53 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.108 179.877 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.7 t60 -104.45 -43.22 5.24 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.878 179.992 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.506 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.1 mt -74.09 -6.57 48.37 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.933 -179.989 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.408 ' O ' ' N ' ' A' ' 56' ' ' GLY . 6.9 tp60 -79.73 -70.98 0.47 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.921 179.914 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.2 p80 -139.83 20.46 2.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.85 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.496 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -124.35 10.12 8.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.862 179.988 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.4 t -113.92 134.76 22.06 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.676 0.751 . . . . 0.0 110.866 -179.911 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.81 -29.67 23.25 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 -179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.493 ' O ' ' N ' ' A' ' 44' ' ' ARG . 11.7 mmtt -110.17 28.87 8.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.873 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.431 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -36.25 -30.2 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.901 179.98 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.493 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.9 OUTLIER 62.0 50.25 4.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.898 -179.92 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 13.1 mt -130.87 103.98 6.88 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.914 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.429 ' HG3' ' C ' ' A' ' 52' ' ' CYS . 6.6 ttpm? -111.56 154.96 24.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.897 179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 41.8 t -72.13 157.31 37.99 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.927 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.6 OUTLIER -99.91 -29.14 12.75 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.878 -179.962 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.59 ' CE2' ' HG2' ' A' ' 69' ' ' GLU . 5.2 m-30 -74.36 -62.69 1.43 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.902 -179.897 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.486 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 31.6 p -87.4 -46.99 9.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.903 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 96.02 54.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.536 -179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.429 ' C ' ' HG3' ' A' ' 46' ' ' LYS . 6.7 m -133.21 135.25 44.93 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.808 0.337 . . . . 0.0 110.872 -179.847 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 19.0 t0 -47.72 142.22 4.82 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 -179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.469 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 22.5 m-85 -148.9 171.69 15.91 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.846 -179.899 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 67.5 m -91.71 -179.77 5.42 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.857 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -66.21 -77.13 0.29 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.42 ' HG3' ' N ' ' A' ' 58' ' ' ALA . 6.6 pt-20 -54.38 -36.03 63.46 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.861 0.363 . . . . 0.0 110.886 -179.882 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.42 ' N ' ' HG3' ' A' ' 57' ' ' GLU . . . -63.25 -60.33 3.55 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.073 179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.415 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 2.1 t80 -40.24 -40.97 1.23 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.914 -179.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -59.47 -51.02 71.67 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.922 179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.2 t -70.23 -20.67 63.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.834 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.469 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 66.4 t60 -83.31 -18.02 40.47 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.8 179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -61.73 -28.42 69.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.852 -179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.29 -21.11 13.76 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.505 -179.954 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 56.3 mmm -122.63 84.69 2.3 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.856 0.36 . . . . 0.0 110.872 -179.966 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.411 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 41.3 t -113.82 136.55 22.08 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.629 0.728 . . . . 0.0 110.888 -179.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -28.91 24.51 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.67 2.247 . . . . 0.0 112.356 179.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.486 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 23.0 mm-40 -125.69 84.62 2.29 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.933 179.982 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.59 ' HG2' ' CE2' ' A' ' 49' ' ' PHE . 7.4 tm-20 -99.18 87.04 3.56 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.903 -179.95 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.4 p -107.83 35.74 3.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.809 -179.777 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 57.9 p -173.19 170.85 4.24 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.837 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 72.43 151.47 1.36 Allowed Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.466 179.999 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -164.15 0.12 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.631 2.22 . . . . 0.0 112.388 -179.969 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.8 m -128.46 72.71 1.45 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.844 -179.798 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 63.0 m -90.4 -49.42 6.54 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.845 -179.833 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.352 0 CA-C-O 119.114 -0.825 . . . . 0.0 112.498 -179.962 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.2 t -93.68 -19.31 21.23 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.902 0.382 . . . . 0.0 110.841 -179.715 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.1 p -52.04 98.92 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.851 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.8 -153.68 6.66 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.505 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.7 t -112.71 157.59 21.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.825 0.345 . . . . 0.0 110.851 -179.717 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 p -105.72 13.4 29.78 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.874 -179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -57.49 -172.06 0.23 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.689 -0.767 . . . . 0.0 112.511 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.5 p80 -96.9 151.64 19.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.883 0.373 . . . . 0.0 110.845 -179.955 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.821 HD22 ' N ' ' A' ' 9' ' ' LEU . 0.0 OUTLIER -112.3 114.31 27.0 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.904 -179.935 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 40.1 t-20 -106.03 -42.02 5.22 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.885 179.923 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 2.2 m -122.88 96.36 4.99 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.144 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 43.4 t -114.21 52.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.852 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.4 m -89.26 -35.25 16.27 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.755 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 1.1 p90 -136.21 75.14 1.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.88 -179.935 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.9 p-10 -44.55 127.89 6.23 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.884 -179.919 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.517 ' CG2' ' N ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -108.13 157.52 8.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.131 179.937 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.517 ' N ' ' CG2' ' A' ' 16' ' ' VAL . 18.7 pt -112.32 145.99 33.99 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.614 0.721 . . . . 0.0 111.109 179.901 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 164.08 35.88 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.684 2.256 . . . . 0.0 112.291 179.902 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.688 ' SG ' HD21 ' A' ' 36' ' ' LEU . 11.5 t -80.3 134.15 55.8 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.583 0.706 . . . . 0.0 110.93 179.964 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.579 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.78 -25.4 28.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.633 2.222 . . . . 0.0 112.35 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.51 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 22.7 m-20 -62.9 -11.49 18.73 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.8 OUTLIER 84.33 23.0 0.12 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.827 -179.981 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -96.34 141.61 23.37 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.637 0.732 . . . . 0.0 110.885 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 64.46 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.724 2.282 . . . . 0.0 112.351 179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.14 124.8 4.84 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.896 179.916 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.031 ' C ' HD13 ' A' ' 27' ' ' LEU . 29.2 mttt -114.36 143.82 44.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.031 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.22 -70.51 0.78 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.914 179.957 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.429 ' C ' HG12 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 171.16 -167.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.88 -179.927 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 65.5 mtm-85 -95.26 23.33 5.9 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.869 -179.911 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.6 mtm180 -141.98 -39.18 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.828 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 93.4 m-20 -88.39 8.33 28.24 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -63.9 -50.1 71.97 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.638 0.732 . . . . 0.0 110.93 -179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.72 -26.65 27.56 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.686 2.257 . . . . 0.0 112.37 179.833 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.29 -7.5 58.97 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.069 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.544 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 51.3 t60 -99.51 -34.21 10.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 179.99 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.688 HD21 ' SG ' ' A' ' 19' ' ' CYS . 29.1 mt -80.8 -6.63 58.79 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.912 -179.971 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -82.86 -61.85 1.76 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 179.915 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -148.23 33.85 0.81 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.97 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.544 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -138.58 11.85 2.73 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.886 179.952 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 51.7 t -110.24 134.91 20.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.655 0.741 . . . . 0.0 110.837 -179.902 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -50.8 0.43 Allowed 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.335 179.95 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.6 mmmt -88.84 27.25 1.36 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.862 179.958 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 1.036 ' NH2' HD22 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -47.57 -19.99 0.22 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.864 179.946 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 13.6 mmm180 77.36 56.48 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.829 -179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 1.036 HD22 ' NH2' ' A' ' 43' ' ' ARG . 2.1 mp -143.28 104.09 4.22 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 11.2 tttp -119.16 149.2 42.12 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.826 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 42.3 t -76.73 134.3 39.22 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -83.54 21.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.838 -179.941 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 23.9 m-85 -126.24 -65.5 0.98 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.912 -179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.1 p -87.29 -17.59 32.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.862 -179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 64.37 57.93 11.83 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.498 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.438 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 87.2 m -143.23 120.23 11.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.76 0.314 . . . . 0.0 110.905 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -46.43 153.55 0.35 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.802 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.438 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 38.2 m-85 -149.0 -177.12 5.63 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.902 -179.879 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.486 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -102.96 -173.37 2.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.886 -179.82 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -74.11 -64.89 2.31 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 10.5 tt0 -58.22 -15.87 11.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.853 0.359 . . . . 0.0 110.915 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.455 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -97.81 -65.9 0.93 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.134 179.897 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.503 ' CD2' ' HB3' ' A' ' 45' ' ' LEU . 8.3 t80 -41.29 -24.54 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 -179.859 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.492 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 2.1 tt0 -81.04 -43.64 19.24 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.417 ' N ' ' O ' ' A' ' 58' ' ' ALA . 93.7 p -85.25 -8.03 58.73 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.828 -179.744 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 29.1 t60 -91.22 -18.71 23.97 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.889 179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.492 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 2.3 pt-20 -78.31 46.15 0.6 Allowed 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -165.37 -36.08 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.485 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 25.0 mtp -118.92 37.22 4.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.79 0.328 . . . . 0.0 110.873 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 34.2 t -53.08 137.56 47.24 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.643 0.735 . . . . 0.0 110.89 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.82 -32.69 17.84 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.687 2.258 . . . . 0.0 112.314 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 27.8 mm-40 -125.38 60.9 1.22 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.88 -179.989 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 19.4 tt0 -42.96 -34.01 0.9 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.881 -179.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 38.9 t -88.0 145.49 25.97 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.896 -179.814 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.9 t -80.99 -52.86 6.96 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.803 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 94.83 150.77 27.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.505 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.74 126.54 13.45 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.661 2.241 . . . . 0.0 112.355 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 14.3 m -131.14 8.87 4.77 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.818 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.1 t -84.67 132.43 34.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.828 -179.816 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 CA-C-O 119.126 -0.819 . . . . 0.0 112.479 -179.991 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.0 p -122.28 27.48 7.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.891 0.377 . . . . 0.0 110.866 -179.736 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' OG ' ' N ' ' A' ' 4' ' ' GLY . 34.7 t -65.63 -175.87 0.31 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.87 -179.789 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' N ' ' OG ' ' A' ' 3' ' ' SER . . . 121.05 38.93 0.62 Allowed Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.47 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -103.72 110.56 22.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.831 0.348 . . . . 0.0 110.851 -179.726 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 10.1 t -120.07 155.84 32.15 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.833 -179.825 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -171.47 154.63 22.62 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.529 179.968 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.402 ' CE1' ' O ' ' A' ' 9' ' ' LEU . 0.9 OUTLIER -169.62 125.96 0.87 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.793 0.33 . . . . 0.0 110.909 -179.93 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.531 HD23 ' N ' ' A' ' 10' ' ' ASN . 4.0 tt -65.29 120.57 13.01 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.9 -179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.531 ' N ' HD23 ' A' ' 9' ' ' LEU . 0.4 OUTLIER -167.54 173.39 8.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.853 179.893 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 36.3 p -122.88 70.2 1.0 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.127 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 82.1 m -96.01 -48.41 5.7 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.887 -179.989 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.1 m 65.17 50.01 1.89 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.808 -179.782 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 20.2 m-85 -151.15 140.77 21.68 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.916 179.98 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 14.8 p-10 -91.11 82.15 5.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.875 -179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.538 HG12 ' H ' ' A' ' 17' ' ' ILE . 0.2 OUTLIER -127.39 -168.69 0.57 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.122 179.899 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.752 HD11 ' C ' ' A' ' 28' ' ' SER . 1.8 pp -133.79 142.33 43.24 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.631 0.729 . . . . 0.0 111.144 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 159.48 53.24 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.67 2.246 . . . . 0.0 112.324 179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.498 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 44.2 t -74.57 135.45 75.22 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.609 0.719 . . . . 0.0 110.846 -179.958 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.455 ' CG ' HD11 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.8 -20.98 33.95 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.672 2.248 . . . . 0.0 112.317 179.986 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.5 ' O ' ' CD ' ' A' ' 22' ' ' ARG . 16.0 m-20 -70.61 -4.61 24.12 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.838 -179.959 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.5 ' CD ' ' O ' ' A' ' 21' ' ' ASN . 0.2 OUTLIER 74.73 36.66 0.57 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.983 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -112.34 146.0 34.02 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.626 0.727 . . . . 0.0 110.9 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.85 64.03 1.85 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.652 2.235 . . . . 0.0 112.337 179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.1 mmm -159.76 129.37 5.35 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.816 179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.986 ' C ' HD13 ' A' ' 27' ' ' LEU . 7.7 mttm -115.67 145.24 42.91 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.874 179.934 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.986 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -127.43 -70.84 0.69 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.968 179.903 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.752 ' C ' HD11 ' A' ' 17' ' ' ILE . 2.7 t 158.25 177.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.856 -179.94 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.471 ' N ' ' OG ' ' A' ' 28' ' ' SER . 6.0 mmm-85 -82.68 20.36 1.15 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.873 -179.945 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 18.1 ttm180 -124.95 -48.68 1.75 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.898 -179.895 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -92.59 7.15 44.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.814 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.677 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -57.49 -49.9 91.18 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.573 0.702 . . . . 0.0 110.921 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.677 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.78 -21.6 33.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.634 2.222 . . . . 0.0 112.336 179.864 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.44 8.58 43.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.104 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.573 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 52.2 t60 -108.13 -44.17 4.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.498 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -73.77 -3.97 31.75 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.906 -179.981 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.41 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.0 tt0 -83.13 -71.89 0.48 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.916 179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -138.14 21.15 2.8 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.891 179.971 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.488 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.7 OUTLIER -126.61 10.51 7.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.834 -179.972 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.573 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 40.3 t -114.86 135.51 22.43 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.623 0.725 . . . . 0.0 110.879 -179.912 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 -35.87 11.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.691 2.261 . . . . 0.0 112.348 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.509 ' O ' ' N ' ' A' ' 44' ' ' ARG . 13.0 mmtt -106.09 33.54 3.76 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.88 179.911 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.417 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -37.06 -28.35 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.95 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.509 ' N ' ' O ' ' A' ' 42' ' ' LYS . 6.8 mmm180 62.28 46.71 5.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.864 -179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 6.8 mt -117.41 103.92 10.59 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.922 -179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.27 148.37 35.72 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.82 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.419 ' O ' ' N ' ' A' ' 51' ' ' GLY . 15.5 t -88.66 113.99 24.81 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.271 -0.422 . . . . 0.0 110.881 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 17.6 pt-20 -71.12 0.36 7.85 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.859 -179.947 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.403 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 4.3 m-85 -96.53 -52.38 3.97 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.904 -179.933 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.1 p -106.02 -28.0 10.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 -179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 47' ' ' CYS . . . 84.07 39.89 9.01 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.503 -179.962 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.528 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 89.9 m -125.16 119.62 29.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.764 0.316 . . . . 0.0 110.917 -179.938 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 70.0 m-20 -49.47 145.98 4.37 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.817 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.681 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 51.6 m-85 -147.71 171.37 15.76 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.89 -179.906 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -99.98 177.59 5.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.877 -179.801 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.41 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -69.76 -37.31 75.95 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.491 179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 24.3 pt-20 -82.92 -32.08 27.42 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.855 0.36 . . . . 0.0 110.892 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -75.86 -48.57 20.93 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.084 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 17.6 t80 -49.24 -44.56 43.69 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.969 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 47.3 mm-40 -49.05 -53.56 19.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.901 179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 93.6 p -73.7 -26.86 60.91 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.892 -179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.681 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 72.2 t60 -66.44 -20.32 66.02 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.883 179.93 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.0 tp10 -68.25 130.79 43.97 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 82.43 -33.21 2.77 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.452 179.984 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.426 ' O ' ' C ' ' A' ' 66' ' ' CYS . 11.0 ptm -94.13 -9.05 37.78 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.782 0.325 . . . . 0.0 110.85 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.426 ' C ' ' O ' ' A' ' 65' ' ' MET . 18.5 t -35.1 138.34 0.37 Allowed Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.601 0.715 . . . . 0.0 110.9 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 -35.39 12.59 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.661 2.241 . . . . 0.0 112.353 179.966 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 20.2 mt-30 -123.13 60.77 1.04 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 -179.995 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 3.7 mt-10 -46.56 -63.8 0.92 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.836 -179.923 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 9.5 t -130.17 48.44 2.4 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.86 -179.783 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.8 m -126.1 131.8 52.03 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.853 -179.839 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.0 155.05 16.51 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.519 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -3.9 12.96 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.677 2.252 . . . . 0.0 112.343 -179.914 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.7 t -126.46 124.34 39.88 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.823 -179.867 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 7.6 t -77.49 128.78 34.78 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.9 -179.873 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 CA-C-O 119.188 -0.785 . . . . 0.0 112.534 -179.978 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 N-CA-C 112.48 -0.248 . . . . 0.0 112.48 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 37.3 m -124.67 150.61 45.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.856 0.36 . . . . 0.0 110.852 -179.738 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 38.6 m -128.63 80.9 1.99 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.849 -179.859 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 105.02 -154.4 17.26 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -120.68 37.45 4.29 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.833 0.349 . . . . 0.0 110.845 -179.758 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 93.5 p -79.71 63.5 4.3 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.89 -179.866 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -121.4 -130.39 3.8 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -134.3 151.28 51.17 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.84 0.353 . . . . 0.0 110.837 -179.93 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 9.3 mt -84.35 -176.28 6.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 67.6 m-20 -54.16 152.91 5.6 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.925 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 27.5 p -120.44 156.91 30.46 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 -179.991 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 29.5 m -133.31 99.0 4.4 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 179.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 77.1 p -117.37 -50.87 2.53 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.871 -179.723 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -62.2 159.14 15.41 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.069 -0.514 . . . . 0.0 110.888 -179.928 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 37.1 m-20 -80.26 138.37 36.78 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.848 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -146.02 178.25 1.28 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.127 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.487 HD11 HD22 ' A' ' 32' ' ' LEU . 2.2 pt -136.49 154.97 77.21 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.655 0.741 . . . . 0.0 111.099 179.965 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 135.43 30.44 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.702 2.268 . . . . 0.0 112.347 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 36' ' ' LEU . 35.4 t -52.05 134.49 39.52 Favored Pre-proline 0 C--N 1.328 -0.341 0 CA-C-O 121.613 0.72 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.487 ' HG2' ' CD1' ' A' ' 36' ' ' LEU . 53.4 Cg_endo -69.78 -18.34 36.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.685 2.257 . . . . 0.0 112.313 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . . . . . . . . . 30.3 m-20 -73.71 -7.15 50.94 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.868 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . . . . . . . . . 3.0 mtp85 77.02 36.56 0.31 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.827 179.977 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.4 p -110.02 145.28 31.75 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.594 0.712 . . . . 0.0 110.852 -179.943 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 64.97 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.711 2.274 . . . . 0.0 112.32 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mtp -158.89 116.63 2.84 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.885 179.885 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.642 ' C ' HD13 ' A' ' 27' ' ' LEU . 20.3 mttt -106.27 124.92 50.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.867 179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.716 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -108.34 -70.66 0.79 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.956 179.863 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.516 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.7 t 159.8 176.53 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.453 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 52.6 mtp180 -80.03 13.57 2.2 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.857 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.2 mpt_? -120.24 -47.93 2.34 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.87 -179.922 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 87.2 m-20 -94.56 16.81 14.5 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.0 tp -65.97 -50.03 54.53 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.66 0.743 . . . . 0.0 110.921 -179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.77 -35.21 13.03 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.671 2.247 . . . . 0.0 112.32 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -78.91 -0.25 30.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.564 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 45.3 t60 -100.73 -40.12 7.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.847 179.995 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.847 HD23 ' N ' ' A' ' 36' ' ' LEU . 0.4 OUTLIER -76.4 -6.46 51.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.945 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 9.4 tm0? -79.88 -68.62 0.65 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.905 179.953 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -141.35 24.83 2.09 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.887 179.97 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.549 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -130.11 9.84 5.32 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.953 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.564 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 42.6 t -113.12 134.49 21.83 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.62 0.724 . . . . 0.0 110.898 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.7 -31.44 20.8 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.354 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.476 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 0.5 OUTLIER -109.64 31.51 5.75 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.871 179.93 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.429 ' CD ' ' O ' ' A' ' 40' ' ' CYS . 0.0 OUTLIER -42.33 -24.76 0.06 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.894 179.965 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.476 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 21.8 mtm180 70.16 50.39 0.43 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.878 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 19.3 mt -133.79 105.8 6.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.923 -179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.442 ' HG2' ' N ' ' A' ' 47' ' ' CYS . 0.1 OUTLIER -115.42 149.03 38.65 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.889 179.822 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.442 ' N ' ' HG2' ' A' ' 46' ' ' LYS . 42.7 t -79.3 131.32 36.11 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.511 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 14.4 pt-20 -83.54 19.59 1.56 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.841 -179.946 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.511 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 28.1 m-85 -124.86 -63.96 1.13 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 -179.919 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.477 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 28.3 p -89.4 -8.4 53.16 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 -179.958 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.45 56.04 27.42 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.483 179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 16.9 m -143.08 130.53 21.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.84 0.352 . . . . 0.0 110.873 -179.881 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -52.97 150.04 5.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.848 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.784 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 23.5 m-85 -148.14 168.32 22.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -84.98 -179.86 7.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.89 -179.776 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -70.52 -80.12 0.32 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.504 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 25.9 tt0 -49.17 -29.56 5.67 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.912 0.387 . . . . 0.0 110.921 -179.904 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -73.5 -56.0 5.61 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.104 -0.498 . . . . 0.0 111.119 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 61.0 t80 -40.58 -32.12 0.19 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.909 -179.83 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.85 -58.0 6.62 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.914 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 48.9 p -66.93 -12.07 58.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.842 -179.794 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.784 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 29.9 t60 -93.19 -7.4 45.38 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tt0 -91.18 30.97 1.16 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.897 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -138.59 -37.03 0.13 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.488 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.406 ' HG2' ' N ' ' A' ' 66' ' ' CYS . 3.4 ttt -109.5 -70.77 0.79 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.788 0.328 . . . . 0.0 110.854 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.406 ' N ' ' HG2' ' A' ' 65' ' ' MET . 16.7 t 60.35 138.41 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.61 0.719 . . . . 0.0 110.887 -179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.8 -35.11 13.14 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.692 2.261 . . . . 0.0 112.36 179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.477 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 1.7 mp0 -123.51 83.45 2.13 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.867 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 2.9 tm-20 -79.89 -47.31 15.28 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.879 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 4.2 m -66.22 90.51 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.883 -179.806 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 53.8 p -52.42 122.94 9.73 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -179.69 159.48 24.03 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.468 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 161.56 45.45 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.256 . . . . 0.0 112.375 -179.982 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.0 t -153.98 166.77 31.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 41.3 t -107.31 131.25 54.43 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.863 -179.801 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.308 0 CA-C-O 119.144 -0.809 . . . . 0.0 112.431 179.987 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.359 0 N-CA-C 112.472 -0.251 . . . . 0.0 112.472 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.5 p -69.81 151.68 45.46 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.876 0.369 . . . . 0.0 110.838 -179.734 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 39.2 m -89.12 -67.48 0.84 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.861 -179.843 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 98.18 -173.93 28.15 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.481 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 70.0 m -136.12 144.54 45.15 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.901 0.381 . . . . 0.0 110.866 -179.75 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.0 t -113.39 16.61 18.88 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.875 -179.817 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -49.79 99.48 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.676 -0.773 . . . . 0.0 112.478 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 30.8 p80 -55.91 147.8 18.61 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.795 0.331 . . . . 0.0 110.857 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.808 HD23 ' N ' ' A' ' 10' ' ' ASN . 2.8 tt -71.3 149.78 45.8 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.935 -179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.808 ' N ' HD23 ' A' ' 9' ' ' LEU . 57.3 m-20 -66.3 121.39 15.14 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.862 179.918 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.1 t -90.23 -28.21 18.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.123 179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 m -90.01 123.17 33.67 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.89 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 7.7 t -76.53 93.71 3.6 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.82 -179.7 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 10.5 t80 -99.91 141.8 32.25 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.874 -179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.448 ' O ' HG12 ' A' ' 16' ' ' VAL . 22.1 t-20 -88.82 146.52 24.94 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.902 -179.941 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.488 HG23 ' N ' ' A' ' 17' ' ' ILE . 1.0 OUTLIER -156.34 179.32 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.149 179.925 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.488 ' N ' HG23 ' A' ' 16' ' ' VAL . 2.2 pt -142.7 157.68 61.34 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.6 0.714 . . . . 0.0 111.162 179.88 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 145.54 57.46 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.696 2.264 . . . . 0.0 112.322 179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.494 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 51.5 t -65.1 135.6 96.35 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.638 0.732 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -26.44 27.67 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.699 2.266 . . . . 0.0 112.334 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.412 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 8.2 m-20 -63.89 -8.04 9.96 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.275 -0.42 . . . . 0.0 110.881 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.412 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 6.8 mtp180 77.1 37.95 0.25 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.847 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -112.83 144.32 30.8 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.61 0.719 . . . . 0.0 110.897 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 64.66 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.717 2.278 . . . . 0.0 112.341 179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.59 119.56 3.74 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.874 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.598 ' C ' HD13 ' A' ' 27' ' ' LEU . 11.0 mttm -107.66 128.66 54.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.847 179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.753 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -110.09 -70.44 0.81 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.883 179.928 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.8 t 159.73 176.59 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.891 -179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.458 ' CG ' ' CD1' ' A' ' 17' ' ' ILE . 75.7 mtm180 -81.63 16.87 1.59 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.947 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 5.6 tpm_? -123.24 -47.19 2.02 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.885 -179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 94.5 m-20 -94.3 13.8 22.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.826 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.674 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -64.88 -50.0 65.46 Favored Pre-proline 0 C--N 1.328 -0.35 0 CA-C-O 121.623 0.725 . . . . 0.0 110.889 -179.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.674 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.1 Cg_endo -69.78 -23.09 31.08 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.669 2.246 . . . . 0.0 112.323 179.894 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -94.6 7.4 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.08 179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.558 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 55.4 t60 -105.55 -41.22 5.54 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.873 179.969 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.494 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 1.9 mt -77.3 -6.36 52.91 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.923 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 38.4 tt0 -78.91 -62.79 1.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.4 OUTLIER -148.65 22.19 1.02 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.889 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.543 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -126.76 10.99 7.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.884 179.948 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.558 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.8 t -112.64 135.1 21.54 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.633 0.73 . . . . 0.0 110.918 -179.937 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.67 -33.72 16.35 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.373 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.458 ' O ' ' CG ' ' A' ' 44' ' ' ARG . 3.7 mmmt -105.27 30.85 5.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.956 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.406 ' HG2' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -46.61 -31.1 2.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.911 179.956 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.458 ' CG ' ' O ' ' A' ' 42' ' ' LYS . 18.2 mtm180 75.46 46.62 0.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.882 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 34.4 mt -137.87 104.49 5.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.902 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.29 159.3 30.57 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.84 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.9 t -65.57 157.03 30.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.887 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.2 tt0 -99.29 -29.91 12.54 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.867 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.519 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 11.1 m-30 -74.53 -71.18 0.36 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.919 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 29.2 p -80.26 -44.06 20.3 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 92.26 58.72 1.35 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.536 -179.963 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.595 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 73.9 m -123.75 128.05 49.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.83 0.347 . . . . 0.0 110.842 -179.84 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 6.5 t0 -45.75 131.3 9.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.595 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 37.7 m-85 -145.43 173.48 11.97 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.86 -179.889 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 2.5 m -93.21 -177.19 4.38 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.852 -179.791 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -82.78 -27.85 40.5 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.507 -179.954 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -91.21 -21.47 21.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.465 ' O ' ' N ' ' A' ' 61' ' ' SER . . . -91.66 -52.45 4.75 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.093 179.959 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.408 ' C ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t80 -37.17 -44.28 0.55 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.901 -179.822 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 71.9 mm-40 -61.36 -43.72 98.38 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.888 -179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.465 ' N ' ' O ' ' A' ' 58' ' ' ALA . 15.1 m -77.74 -15.1 59.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.839 -179.766 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.445 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 79.1 t60 -83.71 -37.93 22.08 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.859 179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -49.87 -19.86 0.76 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.844 -179.923 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -102.28 -27.43 6.89 Favored Glycine 0 N--CA 1.452 -0.279 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.454 -179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -113.16 46.45 1.24 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.832 0.349 . . . . 0.0 110.923 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 42.7 t -81.67 135.02 49.72 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.571 0.7 . . . . 0.0 110.889 -179.918 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 -16.72 37.53 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.661 2.241 . . . . 0.0 112.348 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 28.7 mm-40 -142.63 93.68 2.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.519 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 0.1 OUTLIER -108.26 -160.47 0.73 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.905 -179.941 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 8.0 t -56.82 -51.04 70.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.842 -179.764 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 23.8 m -67.59 127.68 33.65 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 87.22 60.36 1.66 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.516 -179.965 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 -4.27 13.7 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.333 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 16.1 m -39.3 111.43 0.18 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.834 -179.78 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 82.2 p -71.34 -37.14 71.71 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.814 -179.807 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.381 0 CA-C-O 119.15 -0.806 . . . . 0.0 112.467 -179.965 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.338 0 N-CA-C 112.506 -0.238 . . . . 0.0 112.506 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 p -143.4 140.32 30.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.88 0.372 . . . . 0.0 110.884 -179.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 34.2 m -158.8 146.74 18.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.861 -179.797 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -129.52 113.18 1.46 Allowed Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.534 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 3.1 m -114.07 160.58 18.75 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.884 0.374 . . . . 0.0 110.831 -179.7 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.1 m -102.61 -175.17 2.74 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.899 -179.855 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -90.27 -152.9 27.94 Favored Glycine 0 N--CA 1.451 -0.366 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.485 -179.998 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.659 ' C ' HD12 ' A' ' 9' ' ' LEU . 21.2 m-70 -127.5 -177.52 4.11 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.813 0.339 . . . . 0.0 110.879 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.659 HD12 ' C ' ' A' ' 8' ' ' HIS . 9.2 mp -134.25 -175.69 3.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.951 179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 71.3 m-20 -55.62 176.16 0.07 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.905 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 8.5 t -150.31 147.92 28.21 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.166 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 49.4 m -111.92 85.11 2.08 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 18.4 m -127.04 130.5 50.08 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.862 -179.733 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' CG2' ' A' ' 16' ' ' VAL . 7.3 t80 -104.41 -178.78 3.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.857 -179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 28.3 t-20 46.6 41.69 10.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.876 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.492 HG12 ' H ' ' A' ' 17' ' ' ILE . 0.8 OUTLIER -118.97 171.42 7.1 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.164 179.886 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.547 HD11 ' O ' ' A' ' 28' ' ' SER . 21.2 pt -113.38 139.44 23.21 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.65 0.738 . . . . 0.0 111.115 179.913 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 154.28 67.83 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.684 2.256 . . . . 0.0 112.325 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.495 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 50.0 t -74.46 135.52 75.53 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.662 0.744 . . . . 0.0 110.846 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.469 ' HD2' HD21 ' A' ' 36' ' ' LEU . 54.0 Cg_endo -69.73 -21.34 33.77 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.687 2.258 . . . . 0.0 112.326 179.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.58 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -67.94 -11.12 58.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.948 179.983 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.507 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.06 21.71 0.14 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.898 -179.974 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.491 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 0.9 OUTLIER -98.77 142.75 25.13 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.657 0.741 . . . . 0.0 110.847 -179.902 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 64.38 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.695 2.264 . . . . 0.0 112.36 179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.3 mmm -157.59 127.95 6.34 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.874 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.995 ' C ' HD13 ' A' ' 27' ' ' LEU . 12.1 mttm -117.16 145.67 43.69 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.992 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.995 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.4 -70.43 0.78 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.902 179.919 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.547 ' O ' HD11 ' A' ' 17' ' ' ILE . 0.3 OUTLIER 169.41 -160.87 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.837 -179.909 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 43.8 mtp85 -103.97 27.51 7.55 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.917 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 7.9 mmt85 -142.74 -39.2 0.34 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.884 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 30.9 m-20 -88.88 7.2 35.52 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.848 179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.683 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.4 OUTLIER -63.11 -49.06 82.56 Favored Pre-proline 0 C--N 1.328 -0.343 0 CA-C-O 121.538 0.685 . . . . 0.0 110.864 -179.918 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.683 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.78 -6.08 17.75 Favored 'Trans proline' 0 C--O 1.231 0.169 0 C-N-CA 122.686 2.257 . . . . 0.0 112.338 179.88 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -109.45 -6.97 15.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.07 179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.547 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 78.7 t60 -95.15 -44.51 7.61 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.852 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.58 HD22 ' OD1' ' A' ' 21' ' ' ASN . 4.2 mt -76.16 -8.24 56.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.93 -179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.9 mm-40 -78.38 -61.06 2.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.933 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.415 ' ND1' ' HG3' ' A' ' 57' ' ' GLU . 4.3 p80 -151.8 24.82 0.67 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 179.96 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.547 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.3 OUTLIER -129.59 14.34 5.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.873 -179.98 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.465 ' N ' ' O ' ' A' ' 35' ' ' HIS . 50.3 t -111.04 132.62 21.59 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.678 0.751 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 -46.86 1.07 Allowed 'Trans proline' 0 C--N 1.342 0.207 0 C-N-CA 122.678 2.252 . . . . 0.0 112.321 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.491 ' HG3' ' CB ' ' A' ' 23' ' ' CYS . 5.9 mmtp -87.03 19.89 2.89 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.901 179.935 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.581 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -47.0 -21.6 0.24 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.9 179.959 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 62.58 53.99 2.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.874 -179.911 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.581 HD13 ' NH2' ' A' ' 43' ' ' ARG . 3.3 mt -144.17 103.88 4.05 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.954 -179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -119.63 159.43 24.44 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 179.856 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.549 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.3 t -55.58 139.72 43.3 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.892 179.947 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 1.9 mm-40 -83.67 19.16 1.71 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.549 ' CD2' ' SG ' ' A' ' 47' ' ' CYS . 2.2 m-85 -128.76 -69.84 0.7 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.897 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 18.7 p -84.58 5.04 29.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.859 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 38.03 61.15 1.21 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.488 -180.0 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.434 ' O ' ' C ' ' A' ' 53' ' ' ASP . 95.8 m -129.72 118.35 21.74 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.821 0.344 . . . . 0.0 110.849 -179.836 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.434 ' C ' ' O ' ' A' ' 52' ' ' CYS . 1.1 p30 -34.93 137.51 0.13 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.88 -179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -148.72 -176.24 5.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.842 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.478 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -104.99 -177.26 3.31 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.856 -179.781 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -67.93 -84.37 0.12 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.488 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.415 ' HG3' ' ND1' ' A' ' 38' ' ' HIS . 2.6 mt-10 -46.3 -44.15 16.37 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.897 0.38 . . . . 0.0 110.876 -179.855 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -59.34 -57.33 13.46 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.086 179.949 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.478 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.2 t80 -44.22 -34.2 1.8 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.908 -179.835 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 70.4 mt-10 -69.41 -58.34 4.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.863 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 32.8 t -61.88 -19.56 62.78 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.868 -179.752 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 67.8 t60 -76.15 -22.0 55.93 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.815 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.9 tt0 -61.45 -14.8 31.52 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.887 -179.941 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -105.55 -27.73 5.67 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.494 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 1.0 OUTLIER -122.38 74.95 1.21 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.787 0.327 . . . . 0.0 110.869 -179.958 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 37.7 t -104.6 137.18 19.15 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.627 0.727 . . . . 0.0 110.856 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -38.45 7.69 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.681 2.254 . . . . 0.0 112.309 179.947 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 41.1 mm-40 -125.25 73.72 1.33 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.89 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.426 ' OE2' ' CD1' ' A' ' 49' ' ' PHE . 10.5 tp10 -73.56 -18.27 61.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.875 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.1 t -123.19 127.01 48.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.86 -179.77 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 92.0 p -54.61 143.46 24.66 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.868 -179.829 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -71.12 -177.84 26.52 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.434 -179.957 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 -165.63 0.16 Allowed 'Trans proline' 0 C--N 1.342 0.223 0 C-N-CA 122.654 2.236 . . . . 0.0 112.364 -179.913 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 62.5 m -149.13 162.0 40.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.877 -179.868 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 59.8 m -69.49 90.56 0.54 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.871 -179.838 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.299 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.473 -179.997 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.314 0 N-CA-C 112.503 -0.239 . . . . 0.0 112.503 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 22.9 t -115.68 -3.79 12.25 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.859 0.362 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 24.0 m -151.81 176.93 10.93 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.401 ' O ' ' C ' ' A' ' 5' ' ' SER . . . 149.73 -59.41 0.44 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.489 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 4' ' ' GLY . 25.2 t -38.07 103.49 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.86 0.362 . . . . 0.0 110.907 -179.77 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.4 p -157.45 116.56 3.29 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -104.02 69.42 0.28 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.469 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 0.7 OUTLIER -126.55 121.53 32.54 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.801 0.334 . . . . 0.0 110.893 -179.993 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 20.5 tp -72.33 138.23 47.18 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.893 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 48.4 t-20 -85.16 77.01 10.13 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.903 179.891 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 25.0 p -45.5 129.08 8.53 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.151 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 1.1 p -139.11 112.15 7.97 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.843 -179.968 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 24.5 p -106.49 36.23 2.69 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.876 -179.77 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.9 m-85 -105.44 173.75 6.17 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.858 -179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.3 m120 -79.66 86.46 5.27 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.899 -179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.623 HG23 ' N ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -135.38 -174.07 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.096 179.957 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.654 HD11 HD22 ' A' ' 32' ' ' LEU . 19.7 pt -139.53 149.24 59.31 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.684 0.754 . . . . 0.0 111.111 179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 160.47 49.57 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.702 2.268 . . . . 0.0 112.324 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.701 ' SG ' HD21 ' A' ' 36' ' ' LEU . 47.9 t -81.27 135.09 50.93 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 179.997 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 -15.55 37.13 Favored 'Trans proline' 0 N--CA 1.465 -0.167 0 C-N-CA 122.686 2.257 . . . . 0.0 112.372 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.789 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.0 m-20 -74.19 -7.66 53.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 1.3 ptp180 81.07 18.11 0.49 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.2 p -92.24 139.75 24.23 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.659 0.742 . . . . 0.0 110.886 -179.966 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 64.35 1.76 Allowed 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 2.272 . . . . 0.0 112.385 179.931 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 5.6 mmm -154.44 136.29 14.52 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.847 179.97 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 1.002 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.3 mttm -119.27 136.56 54.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.881 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 1.002 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.82 -71.5 0.73 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.898 179.927 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.534 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.9 OUTLIER 158.38 175.44 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.89 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.481 ' CG ' HD13 ' A' ' 17' ' ' ILE . 13.3 mtp85 -78.78 10.51 3.26 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.939 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 9.5 mmp_? -118.72 -46.81 2.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.881 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 79.6 m-20 -89.63 10.61 22.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.829 -179.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.667 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.4 tp -65.15 -49.81 64.09 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.582 0.706 . . . . 0.0 110.881 -179.933 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.83 -27.28 26.34 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.649 2.233 . . . . 0.0 112.285 179.909 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -85.47 -23.36 27.85 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.116 179.885 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.534 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 38.6 t60 -81.6 -36.1 29.34 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.855 -179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.789 HD22 ' OD1' ' A' ' 21' ' ' ASN . 56.2 mt -80.2 6.69 11.1 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 -179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.499 ' O ' ' N ' ' A' ' 56' ' ' GLY . 20.2 tt0 -94.98 -58.67 2.09 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.937 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.417 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.5 OUTLIER -149.63 29.34 0.76 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.858 179.977 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.437 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.9 OUTLIER -124.75 -22.53 4.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.902 179.972 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.534 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 35.3 t -74.29 129.5 84.16 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.62 0.724 . . . . 0.0 110.866 -179.947 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 -47.9 0.84 Allowed 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.694 2.263 . . . . 0.0 112.349 179.902 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 17.7 mmtm -82.0 17.73 1.51 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.945 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 10.1 ptt180 -38.39 -26.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.892 179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 36.4 mtp85 46.66 56.62 6.33 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.88 -179.896 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 55.8 mt -122.59 115.93 22.99 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.4 OUTLIER -127.21 144.82 50.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.894 179.859 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 46.9 t -66.63 135.89 54.76 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.517 ' HG3' ' CD1' ' A' ' 49' ' ' PHE . 2.5 pt-20 -81.41 15.02 2.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.864 -179.955 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.517 ' CD1' ' HG3' ' A' ' 48' ' ' GLU . 73.3 m-85 -126.92 -64.13 1.03 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.891 -179.899 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.41 ' O ' ' C ' ' A' ' 51' ' ' GLY . 31.8 p -92.25 9.14 35.09 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.927 179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.41 ' C ' ' O ' ' A' ' 50' ' ' CYS . . . 37.37 60.48 1.12 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.458 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 7.5 m -132.33 142.44 49.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.815 0.34 . . . . 0.0 110.871 -179.909 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 24.8 m-20 -60.82 139.93 57.79 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.491 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 33.5 m-85 -148.96 177.28 9.7 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.845 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.417 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 0.8 OUTLIER -104.42 -176.1 2.98 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.832 -179.777 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.499 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -75.11 -65.31 2.13 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.484 180.0 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 1.8 pp20? -61.02 -28.9 69.39 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.889 0.376 . . . . 0.0 110.904 -179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -76.91 -55.17 5.71 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.116 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.483 ' CD1' ' C ' ' A' ' 59' ' ' TYR . 2.8 t80 -45.55 -40.21 8.39 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.935 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.3 mm-40 -55.17 -53.67 53.06 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 2.5 t -68.86 -23.2 64.2 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.816 -179.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.491 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 36.1 t60 -72.59 -22.46 60.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.887 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 9.0 tt0 -53.76 -30.01 42.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.891 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.59 -21.14 22.6 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.477 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 9.0 ptp -124.75 111.14 15.2 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-O 120.824 0.345 . . . . 0.0 110.865 -179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.0 t -139.45 137.0 18.25 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.63 0.728 . . . . 0.0 110.853 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.84 -34.94 13.33 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.662 2.242 . . . . 0.0 112.316 179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.2 mm-40 -124.74 67.88 1.1 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.908 -179.998 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 22.6 tt0 -76.8 67.7 2.9 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.911 -179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 2.2 m -127.38 166.98 16.84 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.885 -179.819 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.8 m -88.83 1.44 55.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.859 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.447 ' N ' ' CD ' ' A' ' 73' ' ' PRO . . . 40.94 52.86 3.93 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.473 -179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.447 ' CD ' ' N ' ' A' ' 72' ' ' GLY . 54.0 Cg_endo -69.76 90.01 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.732 2.288 . . . . 0.0 112.344 -179.974 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 8.3 t 51.76 36.57 18.1 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.868 -179.854 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 3.3 m -83.05 -178.04 6.98 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.883 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.335 0 CA-C-O 119.113 -0.826 . . . . 0.0 112.52 179.995 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.504 -0.238 . . . . 0.0 112.504 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 72.3 m -165.47 176.52 8.15 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.872 0.367 . . . . 0.0 110.87 -179.789 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 27.0 t -79.31 -32.37 43.45 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.82 -179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.52 -111.72 4.04 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.502 -179.962 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.0 p -89.54 -179.94 5.92 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.894 0.378 . . . . 0.0 110.866 -179.753 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 77.7 p -96.46 169.59 9.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.899 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.97 -174.22 1.18 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.474 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 3.3 m-70 -112.43 131.12 55.73 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.792 0.33 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.544 HD23 ' N ' ' A' ' 9' ' ' LEU . 1.6 pt? -54.57 137.48 43.21 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.935 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 12.7 t-20 -123.93 140.13 53.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.874 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.9 m -92.27 152.51 19.78 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.134 179.994 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 7.7 p -119.96 100.81 7.44 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.94 179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 80.3 p -91.4 172.99 8.15 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.851 -179.723 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 0.5 OUTLIER -99.7 1.28 43.26 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.87 -179.936 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 10.6 t-20 -85.84 -14.15 45.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.861 -179.897 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 5.1 m -109.45 -173.12 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.13 179.906 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.892 HD11 HD22 ' A' ' 32' ' ' LEU . 32.3 pt -141.18 152.74 65.43 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.603 0.716 . . . . 0.0 111.145 179.882 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 148.54 65.18 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.678 2.252 . . . . 0.0 112.352 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 43.6 t -70.52 135.03 86.33 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.628 0.728 . . . . 0.0 110.906 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 -19.53 35.72 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.625 2.217 . . . . 0.0 112.347 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.527 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.6 m-20 -69.03 -10.85 59.62 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.868 179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 83.86 22.78 0.13 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.831 -179.975 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.12 140.88 22.18 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.671 0.748 . . . . 0.0 110.896 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 64.42 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.69 2.26 . . . . 0.0 112.359 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.7 mtp -155.31 117.05 4.06 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.866 179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.686 ' C ' HD13 ' A' ' 27' ' ' LEU . 24.7 mttt -106.51 121.92 45.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.898 179.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.724 HD13 ' N ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -105.09 -70.86 0.76 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.956 179.901 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.508 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 2.6 t 160.04 176.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.868 -179.935 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.622 ' CD ' HD13 ' A' ' 17' ' ' ILE . 17.9 mmt180 -80.8 15.68 1.68 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.874 -179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 31.2 ttm180 -122.25 -47.81 2.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.901 -179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 44.2 m-20 -88.66 5.18 44.35 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.872 179.94 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.892 HD22 HD11 ' A' ' 17' ' ' ILE . 6.7 tp -60.27 -50.41 86.08 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.636 0.732 . . . . 0.0 110.964 179.985 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.8 -22.37 31.99 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.684 2.256 . . . . 0.0 112.305 179.913 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -93.89 -15.58 24.86 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.119 179.846 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.456 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 21.0 t60 -86.74 -38.66 16.72 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.843 -179.955 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.527 HD22 ' OD1' ' A' ' 21' ' ' ASN . 0.3 OUTLIER -78.82 6.51 8.91 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 -179.951 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.427 ' HG3' ' CG ' ' A' ' 38' ' ' HIS . 6.2 tp60 -96.35 -48.7 5.49 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.915 179.901 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.599 ' CD2' ' N ' ' A' ' 38' ' ' HIS . 0.0 OUTLIER -156.0 32.14 0.35 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.885 -179.987 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.456 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 2.6 t0 -128.93 -29.23 2.34 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.844 -179.986 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.452 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 11.2 t -66.95 128.61 93.93 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.576 0.703 . . . . 0.0 110.869 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 -27.5 26.39 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.635 2.223 . . . . 0.0 112.367 179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.497 ' O ' ' N ' ' A' ' 44' ' ' ARG . 21.2 mttp -109.11 26.26 10.83 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.923 179.902 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.408 ' C ' ' O ' ' A' ' 42' ' ' LYS . 7.9 ptt-85 -37.85 -27.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.834 -179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.497 ' N ' ' O ' ' A' ' 42' ' ' LYS . 32.1 mtp85 61.83 52.65 3.38 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.853 -179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.495 ' CD1' ' N ' ' A' ' 56' ' ' GLY . 15.2 mt -124.34 104.44 8.78 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.911 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.47 ' CD ' ' O ' ' A' ' 47' ' ' CYS . 3.1 tmmm? -129.98 151.7 50.25 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.899 179.811 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.47 ' O ' ' CD ' ' A' ' 46' ' ' LYS . 42.0 t -90.27 134.33 34.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 179.947 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 13.8 pt-20 -88.94 20.21 3.7 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.863 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 54.4 m-85 -123.83 -75.47 0.6 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.894 -179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.7 p -75.04 -26.41 59.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.908 -179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 77.97 56.62 3.72 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.477 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.408 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 57.2 m -140.45 129.89 23.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.835 0.35 . . . . 0.0 110.881 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -60.84 153.82 23.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.911 179.992 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 60.3 m-85 -148.69 -175.96 5.14 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.883 -179.91 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.685 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 5.2 m -114.65 155.32 26.81 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.861 -179.777 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.495 ' N ' ' CD1' ' A' ' 45' ' ' LEU . . . -43.82 -32.15 2.11 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.499 179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.1 tt0 -87.89 -39.36 14.85 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.846 0.355 . . . . 0.0 110.88 -179.868 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.685 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -68.53 -58.13 4.76 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.095 179.943 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.42 ' C ' ' O ' ' A' ' 58' ' ' ALA . 54.8 t80 -36.29 -36.74 0.1 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.934 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 28.3 mm-40 -74.01 -46.76 41.63 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.896 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.445 ' N ' ' O ' ' A' ' 58' ' ' ALA . 6.0 t -73.21 -15.03 61.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.862 -179.779 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 14.7 t60 -84.62 -54.36 4.78 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.819 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.9 pt-20 -46.57 139.48 5.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.869 -179.863 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 106.44 -17.35 40.1 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.48 -179.987 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 10.0 ttt -126.07 -72.8 0.64 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.828 0.346 . . . . 0.0 110.907 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 2.6 t 66.94 134.29 0.04 OUTLIER Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.594 0.711 . . . . 0.0 110.93 -179.93 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.73 -31.45 20.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.715 2.277 . . . . 0.0 112.314 179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.461 ' O ' ' N ' ' A' ' 70' ' ' SER . 36.1 mm-40 -122.41 -13.39 8.05 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.959 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.45 ' C ' ' O ' ' A' ' 68' ' ' GLN . 9.8 tp10 34.34 34.86 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.916 -179.934 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.461 ' N ' ' O ' ' A' ' 68' ' ' GLN . 3.5 p -34.83 114.34 0.22 Allowed 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.871 -179.766 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -89.09 -52.93 4.82 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.812 -179.794 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 99.45 66.9 0.85 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.495 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 158.11 58.08 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.358 -179.945 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 12.7 t -79.11 125.37 29.33 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.865 -179.816 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 13.2 m -101.79 1.21 36.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 CA-C-O 119.156 -0.802 . . . . 0.0 112.502 179.991 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.342 0 N-CA-C 112.501 -0.24 . . . . 0.0 112.501 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.9 m -119.6 99.12 6.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.871 0.367 . . . . 0.0 110.848 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.6 t 59.67 52.94 5.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.854 -179.831 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -95.6 -134.53 7.84 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.522 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 10.0 p -140.2 177.92 7.65 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.799 0.333 . . . . 0.0 110.856 -179.757 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -105.43 169.72 8.3 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.796 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -66.78 -78.08 0.27 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 11.4 m80 48.87 26.49 1.32 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.815 0.341 . . . . 0.0 110.841 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 6.7 mt -59.19 171.64 0.71 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.874 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 22.3 m120 -124.76 163.27 22.46 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.89 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 12.8 m -118.04 142.62 47.2 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 2.3 p -102.49 168.12 9.5 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.854 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 31.8 m -124.68 44.07 2.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.867 -179.728 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 37.6 m-85 -110.4 179.14 4.17 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.889 -179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 40.1 m-20 -66.72 107.93 2.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.878 -179.914 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 13.0 m -139.19 179.77 2.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.42 HD11 HD22 ' A' ' 32' ' ' LEU . 4.9 pt -127.9 152.6 77.52 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.61 0.719 . . . . 0.0 111.132 179.904 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.82 153.88 68.13 Favored 'Trans proline' 0 C--O 1.232 0.192 0 C-N-CA 122.701 2.268 . . . . 0.0 112.305 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . . . . . . . . . 50.9 t -71.44 135.6 84.06 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 110.898 179.989 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.8 -21.59 33.11 Favored 'Trans proline' 0 N--CA 1.465 -0.152 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 179.986 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.604 ' OD1' HD22 ' A' ' 36' ' ' LEU . 2.7 m-20 -67.3 -11.59 57.95 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.907 179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.512 ' CG ' ' O ' ' A' ' 21' ' ' ASN . 0.4 OUTLIER 84.33 22.85 0.12 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.901 -179.953 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.1 p -99.73 142.82 25.32 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.662 0.744 . . . . 0.0 110.836 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 64.03 1.77 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.724 2.282 . . . . 0.0 112.382 179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.6 mmm -157.24 127.08 6.2 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 179.948 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.92 ' C ' HD13 ' A' ' 27' ' ' LEU . 14.3 mttp -113.93 142.39 46.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.865 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.92 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -122.85 -69.93 0.8 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.908 179.914 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.456 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 163.06 174.33 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.853 -179.872 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.417 ' N ' ' OG ' ' A' ' 28' ' ' SER . 42.8 mtm180 -78.69 10.62 3.11 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.837 -179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.0 ttp180 -119.55 -46.26 2.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.841 -179.894 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -90.51 9.97 27.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.899 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.665 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.7 tp -63.22 -50.5 74.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.574 0.702 . . . . 0.0 110.907 -179.977 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.665 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.79 -20.19 35.01 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.72 2.28 . . . . 0.0 112.332 179.898 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -96.17 6.56 48.53 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.117 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.54 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 74.6 t60 -106.02 -40.45 5.67 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.851 -179.979 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.604 HD22 ' OD1' ' A' ' 21' ' ' ASN . 1.4 mt -76.86 -3.85 40.68 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.947 -179.988 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.411 ' O ' ' NH1' ' A' ' 43' ' ' ARG . 45.1 tt0 -84.58 -62.64 1.5 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 1.0 OUTLIER -147.29 27.85 1.01 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.861 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.54 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -132.07 7.57 4.33 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.889 -179.983 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.468 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.4 t -105.23 130.76 22.55 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.602 0.715 . . . . 0.0 110.9 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -48.97 0.61 Allowed 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.715 2.277 . . . . 0.0 112.375 179.955 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.462 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 33.6 mmtt -83.37 23.05 0.95 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.921 179.887 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.631 ' CZ ' HD12 ' A' ' 45' ' ' LEU . 0.1 OUTLIER -52.22 -21.89 3.83 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.867 179.978 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.462 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.5 65.6 0.55 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.851 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.631 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 12.5 mt -145.2 103.86 3.89 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.947 -179.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.439 ' HD2' ' N ' ' A' ' 53' ' ' ASP . 7.8 tptt -101.66 159.99 14.84 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.6 ' SG ' ' CD2' ' A' ' 49' ' ' PHE . 42.8 t -89.07 111.12 21.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.875 179.961 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.8 OUTLIER -59.96 -10.22 3.89 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.875 -179.953 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.618 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.2 OUTLIER -87.3 -66.28 0.93 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.901 -179.889 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 27.2 p -92.6 -42.23 9.77 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.879 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 95.07 56.87 1.26 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.519 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.569 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 56.1 m -145.62 123.18 11.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.801 0.334 . . . . 0.0 110.9 -179.882 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 4.8 p-10 -34.53 140.91 0.06 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.868 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.755 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 13.5 m-85 -149.05 -179.9 7.37 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.843 -179.871 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.472 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -98.45 -172.59 2.36 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.849 -179.799 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.42 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -78.0 -79.13 0.76 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.502 -179.997 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -50.38 -21.42 1.43 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.834 0.35 . . . . 0.0 110.869 -179.892 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.485 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.59 -57.28 3.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.097 179.941 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CB ' ' O ' ' A' ' 55' ' ' SER . 3.4 t80 -36.99 -29.59 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.956 -179.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.485 ' N ' ' O ' ' A' ' 58' ' ' ALA . 38.1 mm-40 -85.31 -59.97 2.17 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.898 -179.98 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 95.4 p -68.99 -2.08 9.03 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.816 -179.767 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.755 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.0 t60 -93.9 -4.52 49.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.842 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 pt-20 -71.45 -31.35 67.08 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.875 -179.888 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -84.41 -33.25 20.35 Favored Glycine 0 N--CA 1.452 -0.265 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.444 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.41 ' O ' ' C ' ' A' ' 66' ' ' CYS . 0.1 OUTLIER -93.17 -11.0 33.82 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.813 0.339 . . . . 0.0 110.878 -179.94 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.478 ' HA ' ' CE1' ' A' ' 62' ' ' HIS . 43.8 t -36.77 134.93 0.63 Allowed Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 110.871 -179.964 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -30.66 21.77 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.691 2.261 . . . . 0.0 112.327 179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.4 mm100 -131.55 74.09 1.57 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.959 179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 30.0 tt0 -83.65 -22.98 31.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.852 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 13.2 t -148.55 146.89 28.5 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.87 -179.778 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 6.2 p -105.52 144.01 32.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.862 -179.807 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -163.9 146.21 11.28 Favored Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.486 -179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 -22.3 32.09 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.716 2.278 . . . . 0.0 112.346 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 19.2 m -81.83 -51.47 8.09 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 37.1 m -81.04 -10.4 59.7 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.876 -179.817 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 CA-C-O 119.147 -0.807 . . . . 0.0 112.464 -179.999 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.275 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p 44.85 33.35 0.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.889 0.376 . . . . 0.0 110.866 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.6 p -130.25 146.16 51.83 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.824 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -171.24 56.41 0.18 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.499 -180.0 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.417 ' O ' ' C ' ' A' ' 6' ' ' SER . 13.6 p -42.39 -46.18 4.59 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.9 0.381 . . . . 0.0 110.825 -179.678 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.417 ' C ' ' O ' ' A' ' 5' ' ' SER . 5.0 m 36.61 49.15 0.69 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.805 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -152.67 151.34 23.18 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.463 -179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 7.9 t60 -91.2 136.76 32.87 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.853 0.359 . . . . 0.0 110.862 -179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.685 ' C ' HD23 ' A' ' 9' ' ' LEU . 4.5 tt -147.73 117.06 6.93 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.888 -179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.487 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 0.8 OUTLIER -157.6 119.26 3.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.93 179.919 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.5 m -92.27 125.3 36.88 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.115 -179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 74.8 m -63.78 127.38 31.1 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.916 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 28.2 t -109.07 160.54 15.97 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.822 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 13.4 p90 -117.49 160.89 20.47 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 4.1 t-20 61.77 37.86 15.34 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.949 -179.877 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . . . . . . . . . 1.5 m -130.31 -179.75 3.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.093 -0.503 . . . . 0.0 111.103 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.423 HD11 HD22 ' A' ' 32' ' ' LEU . 3.9 pt -140.23 155.22 70.44 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.636 0.731 . . . . 0.0 111.156 179.908 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 148.06 64.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.644 2.23 . . . . 0.0 112.355 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.492 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 53.9 t -70.77 134.46 86.02 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.632 0.729 . . . . 0.0 110.886 -179.995 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.421 ' HD2' HD21 ' A' ' 36' ' ' LEU . 53.6 Cg_endo -69.77 -27.22 26.67 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.667 2.245 . . . . 0.0 112.312 179.978 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.546 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.5 m-20 -61.64 -8.75 4.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.899 -179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.435 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 4.8 mtp180 78.58 43.35 0.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.841 179.988 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . 0.435 ' CB ' ' HG3' ' A' ' 42' ' ' LYS . 1.2 p -121.77 144.58 41.12 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.603 0.716 . . . . 0.0 110.913 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 64.29 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.672 2.248 . . . . 0.0 112.344 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -157.14 119.79 3.96 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.894 179.886 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.671 ' C ' HD13 ' A' ' 27' ' ' LEU . 16.5 mttp -111.63 127.99 55.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.907 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.671 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -108.6 -68.74 0.89 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.932 179.944 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.474 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.6 OUTLIER 162.58 -176.96 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.85 -179.956 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 3.8 mtm-85 -87.52 16.9 4.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.861 -179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 45.6 ttt180 -123.93 -47.86 1.91 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.905 -179.921 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 70.4 m-20 -88.46 4.12 47.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.654 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.2 tp -59.1 -50.37 88.17 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.623 0.725 . . . . 0.0 110.948 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.654 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.83 -10.03 27.53 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.73 2.287 . . . . 0.0 112.273 179.923 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -108.91 6.65 25.51 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.129 179.839 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.588 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 67.4 t60 -107.36 -38.29 5.99 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.841 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.546 HD22 ' OD1' ' A' ' 21' ' ' ASN . 3.1 mt -81.0 -4.13 54.09 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.868 -179.956 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 1.0 OUTLIER -82.1 -55.94 4.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.897 179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.85 25.11 0.44 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.832 -179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.588 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -130.71 10.56 5.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.864 179.945 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.496 ' N ' ' O ' ' A' ' 35' ' ' HIS . 47.3 t -109.65 129.44 23.92 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.667 0.746 . . . . 0.0 110.841 -179.926 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 -41.76 3.91 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.706 2.27 . . . . 0.0 112.306 179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.479 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 4.4 mmpt? -85.04 17.09 3.07 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.907 179.915 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.762 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -48.05 -19.47 0.26 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.89 179.974 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.479 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 24.8 mmm180 77.19 52.92 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.875 -179.904 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.762 HD12 ' NH2' ' A' ' 43' ' ' ARG . 11.1 mt -145.07 104.1 3.94 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.897 -179.95 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.475 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 8.6 tttt -116.53 149.36 39.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.881 179.824 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 49.5 t -67.7 136.84 54.92 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.853 179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 2.0 mm-40 -81.35 13.58 2.87 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.864 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 12.6 m-85 -123.42 -74.55 0.61 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.863 -179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 26.6 p -76.39 -12.6 60.08 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.911 -179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.475 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 54.95 60.05 9.38 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.525 179.971 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.455 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 55.5 m -140.85 113.93 8.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.74 0.305 . . . . 0.0 110.868 -179.853 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.438 ' C ' ' O ' ' A' ' 52' ' ' CYS . 20.4 m-20 -35.33 147.4 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.849 -179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.455 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 27.5 m-85 -148.13 170.81 16.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.919 -179.912 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.48 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.7 OUTLIER -95.13 -171.94 2.55 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.83 -179.781 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.417 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -73.03 -58.05 4.94 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.524 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 7.7 tp10 -65.41 -15.95 63.13 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.842 0.353 . . . . 0.0 110.872 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.436 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -86.81 -65.86 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 111.124 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.402 ' C ' ' O ' ' A' ' 58' ' ' ALA . 13.9 t80 -37.6 -31.1 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.935 -179.878 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.489 ' O ' ' CG ' ' A' ' 63' ' ' GLU . 5.3 mm-40 -77.12 -61.97 1.81 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.875 -179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 38.1 t -60.94 -14.91 25.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.873 -179.834 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 79.8 t60 -87.14 -4.78 59.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.835 -179.98 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.489 ' CG ' ' O ' ' A' ' 60' ' ' GLU . 1.0 OUTLIER -57.3 122.44 12.53 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.923 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 80.96 -41.97 2.66 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.822 -0.704 . . . . 0.0 112.456 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.4 tpt -80.42 87.93 5.63 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.858 0.361 . . . . 0.0 110.853 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 8.3 t -123.78 133.73 24.83 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.63 0.728 . . . . 0.0 110.86 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.79 -28.45 25.1 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.689 2.259 . . . . 0.0 112.334 179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 7.0 mm-40 -126.38 81.38 2.0 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.93 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.48 ' C ' ' CD ' ' A' ' 69' ' ' GLU . 0.0 OUTLIER -89.18 77.79 7.46 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.891 -179.918 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 45.2 t 44.07 35.2 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.855 -179.786 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 p -112.37 18.41 18.54 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.793 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -119.25 163.62 13.38 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.494 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 159.37 53.65 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 1.6 t -40.93 158.07 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.854 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 2.7 m -51.09 151.41 2.7 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.837 -179.778 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.297 0 CA-C-O 119.134 -0.815 . . . . 0.0 112.484 179.991 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.301 0 N-CA-C 112.483 -0.247 . . . . 0.0 112.483 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 95.9 p -104.84 128.52 53.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.882 0.372 . . . . 0.0 110.842 -179.732 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 10.4 p -132.78 -55.44 0.94 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.858 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 150.38 150.61 5.32 Favored Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.49 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.5 p -166.74 140.3 3.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.718 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.5 p -160.54 178.48 9.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.829 -179.791 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -100.73 140.68 15.02 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.432 ' C ' HD23 ' A' ' 9' ' ' LEU . 6.1 m80 -118.78 88.6 2.96 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.808 0.337 . . . . 0.0 110.85 -179.93 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.693 HD23 ' N ' ' A' ' 9' ' ' LEU . 0.2 OUTLIER -133.6 89.52 2.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.951 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.415 ' OD1' ' N ' ' A' ' 11' ' ' THR . 7.2 t-20 -175.94 170.34 2.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.415 ' N ' ' OD1' ' A' ' 10' ' ' ASN . 1.9 p 63.54 42.36 6.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.142 -179.968 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 87.9 m -82.53 135.18 35.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.909 179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 1.7 m -133.66 178.58 6.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.857 -179.726 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.497 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 2.3 m-30 -103.25 -176.48 3.1 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.896 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 11.8 t-20 55.83 40.57 30.63 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.841 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.458 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 12.9 m -117.5 151.89 19.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.173 179.872 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.718 HD11 ' HA ' ' A' ' 29' ' ' ARG . 0.7 OUTLIER -109.92 153.99 42.84 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.588 0.708 . . . . 0.0 111.176 179.937 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 150.57 68.38 Favored 'Trans proline' 0 C--N 1.341 0.137 0 C-N-CA 122.723 2.282 . . . . 0.0 112.309 179.885 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.746 ' SG ' HD21 ' A' ' 36' ' ' LEU . 10.6 t -76.36 134.03 70.71 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.605 0.716 . . . . 0.0 110.926 179.966 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -24.14 30.05 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.669 2.246 . . . . 0.0 112.379 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.782 ' OD1' HD22 ' A' ' 36' ' ' LEU . 4.9 m-20 -63.73 -11.31 25.18 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.998 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.523 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.18 23.83 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.903 -179.95 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -98.64 139.75 21.32 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.616 0.722 . . . . 0.0 110.911 -179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.83 64.17 1.84 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.658 2.239 . . . . 0.0 112.309 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mmm -154.6 131.25 10.66 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.874 179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.889 ' C ' HD13 ' A' ' 27' ' ' LEU . 31.9 mttt -115.01 132.83 56.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.889 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -116.05 -70.56 0.79 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.877 179.96 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.514 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.4 OUTLIER 159.83 174.62 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.83 -179.916 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.718 ' HA ' HD11 ' A' ' 17' ' ' ILE . 12.7 ttp180 -78.62 10.66 3.04 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.86 -179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 27.0 mtt180 -119.38 -46.88 2.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.831 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 46.8 m-20 -88.33 8.33 28.03 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.874 179.997 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.656 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.5 tp -63.7 -50.29 72.4 Favored Pre-proline 0 C--N 1.328 -0.365 0 CA-C-O 121.6 0.714 . . . . 0.0 110.903 -179.973 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.656 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.9 Cg_endo -69.69 -25.11 29.25 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.717 2.278 . . . . 0.0 112.355 179.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -87.65 -24.97 23.76 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.074 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.493 ' O ' ' N ' ' A' ' 40' ' ' CYS . 41.9 t60 -80.24 -31.64 38.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.782 HD22 ' OD1' ' A' ' 21' ' ' ASN . 94.4 mt -84.55 8.86 15.21 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.963 -179.957 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 44.6 tp60 -98.22 -49.94 4.53 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.961 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.432 ' CB ' ' H ' ' A' ' 56' ' ' GLY . 0.3 OUTLIER -156.42 28.24 0.34 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.862 -179.967 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.462 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.7 t0 -124.51 -25.5 4.03 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.865 -179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.493 ' N ' ' O ' ' A' ' 35' ' ' HIS . 11.8 t -71.89 126.0 91.47 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.621 0.724 . . . . 0.0 110.903 -179.906 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 -49.88 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.637 2.225 . . . . 0.0 112.392 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.409 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 47.1 mttt -83.53 23.8 0.91 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.87 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.796 ' NH2' HD12 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -51.37 -23.73 4.05 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.909 179.945 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.409 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 0.3 OUTLIER 64.6 61.18 0.85 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.857 -179.949 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.796 HD12 ' NH2' ' A' ' 43' ' ' ARG . 10.3 mt -137.63 104.21 5.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.887 -179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.451 ' HE3' ' CA ' ' A' ' 51' ' ' GLY . 9.5 tttt -105.89 159.89 15.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.958 179.788 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.438 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 41.2 t -76.48 142.41 40.96 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 7.3 mm-40 -84.82 19.77 1.99 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.445 ' CD2' ' HG3' ' A' ' 69' ' ' GLU . 39.1 m-85 -134.19 -75.25 0.47 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.84 -179.905 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.447 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 29.5 p -73.54 -28.36 61.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.895 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' CA ' ' HE3' ' A' ' 46' ' ' LYS . . . 71.56 61.09 4.01 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.519 179.976 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.54 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 76.5 m -144.65 121.29 11.13 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.85 0.357 . . . . 0.0 110.859 -179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.448 ' C ' ' O ' ' A' ' 52' ' ' CYS . 3.8 p30 -34.52 141.65 0.05 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.871 -179.969 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.636 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 12.4 m-85 -148.61 -176.02 5.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.893 -179.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 1.2 m -101.3 -178.85 3.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.852 -179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.432 ' H ' ' CB ' ' A' ' 38' ' ' HIS . . . -66.54 -87.43 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.528 179.961 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 41.8 tt0 -43.75 -25.16 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.916 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.411 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -76.38 -56.69 4.4 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.127 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.472 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 6.5 t80 -48.89 -21.93 0.74 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.834 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -84.34 -56.34 3.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.838 -179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 5.0 m -76.15 -6.74 52.61 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.831 -179.78 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.636 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 15.6 t60 -92.05 -15.51 27.73 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.907 179.928 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.4 mt-10 -68.74 -22.17 64.33 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.874 -179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -100.6 -26.48 8.07 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 11.5 mmt -113.36 31.48 6.44 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.819 0.342 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 33.5 t -61.13 137.6 94.2 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.637 0.732 . . . . 0.0 110.804 -179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . 0.46 ' CD ' ' CE1' ' A' ' 62' ' ' HIS . 53.8 Cg_endo -69.81 -36.42 10.7 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.671 2.247 . . . . 0.0 112.369 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.447 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 41.0 mm-40 -122.04 82.24 1.93 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.918 179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.447 ' O ' ' C ' ' A' ' 70' ' ' SER . 32.0 tt0 -87.38 70.79 9.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . 0.447 ' C ' ' O ' ' A' ' 69' ' ' GLU . 1.2 t -34.62 98.02 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.088 -0.505 . . . . 0.0 110.905 -179.83 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.408 ' N ' ' O ' ' A' ' 69' ' ' GLU . 70.4 p -175.05 170.22 3.22 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.873 -179.826 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 54.35 69.97 1.09 Allowed Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.514 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.75 -12.5 33.04 Favored 'Trans proline' 0 N--CA 1.466 -0.129 0 C-N-CA 122.703 2.269 . . . . 0.0 112.323 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 58.5 m -67.03 -30.77 70.95 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.82 -179.841 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 32.4 t -109.15 155.03 21.51 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 CA-C-O 119.158 -0.801 . . . . 0.0 112.477 179.981 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.278 0 N-CA-C 112.499 -0.24 . . . . 0.0 112.499 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 62.2 p -162.41 160.01 25.91 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.95 0.405 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 p -108.31 160.51 15.8 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.843 -179.792 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.54 -155.64 8.12 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.489 -179.973 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.4 t -139.89 116.63 10.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.901 0.382 . . . . 0.0 110.899 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 50.8 m -65.24 -69.68 0.28 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.788 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 111.48 131.31 5.77 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.483 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -116.45 69.54 0.75 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.781 0.324 . . . . 0.0 110.867 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 17.8 mt -75.77 141.56 42.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.93 -179.983 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 34.1 t-20 -158.73 113.55 2.52 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.889 179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 52.7 m -72.4 -64.46 0.95 Allowed 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.171 -179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . 0.422 ' SG ' ' N ' ' A' ' 13' ' ' SER . 36.3 t -132.58 161.89 32.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.878 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.422 ' N ' ' SG ' ' A' ' 12' ' ' CYS . 14.7 m -71.71 130.59 41.51 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.747 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.746 ' O ' HG22 ' A' ' 16' ' ' VAL . 54.6 m-85 -132.8 -172.82 3.01 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.933 -179.949 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 30.8 m-80 -63.17 91.98 0.05 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 -179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.824 HG12 ' O ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -133.87 146.23 32.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.152 179.928 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.414 HG12 ' C ' ' A' ' 28' ' ' SER . 3.5 pt -121.05 149.11 50.55 Favored Pre-proline 0 C--N 1.328 -0.347 0 CA-C-O 121.646 0.736 . . . . 0.0 111.13 179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 151.59 69.05 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.684 2.256 . . . . 0.0 112.36 179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.736 ' SG ' HD21 ' A' ' 36' ' ' LEU . 5.3 t -79.58 134.03 58.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.62 0.724 . . . . 0.0 110.932 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 -21.59 33.25 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.673 2.248 . . . . 0.0 112.345 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.732 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.9 m-20 -66.63 -10.97 51.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.875 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.511 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.1 OUTLIER 84.06 22.0 0.14 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.906 -179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.7 p -95.27 139.73 22.13 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.647 0.737 . . . . 0.0 110.861 -179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.81 64.26 1.83 Allowed 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.675 2.25 . . . . 0.0 112.378 179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 4.6 mtp -152.87 132.7 13.22 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.858 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.57 ' C ' HD13 ' A' ' 27' ' ' LEU . 25.3 mttm -117.25 115.48 25.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 179.946 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.824 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -97.15 -70.18 0.73 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.502 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.5 OUTLIER 160.68 -175.6 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.845 -179.945 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 20.7 mmm-85 -88.32 20.19 3.4 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.882 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 30.9 mtm-85 -134.07 -41.18 0.82 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 77.0 m-20 -88.55 7.39 33.4 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.926 179.93 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.669 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.3 OUTLIER -64.74 -50.01 66.42 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.626 0.726 . . . . 0.0 110.915 -179.939 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.669 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.6 Cg_endo -69.77 -25.91 28.07 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.705 2.27 . . . . 0.0 112.361 179.859 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.54 -21.69 23.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.099 179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.466 ' HA ' ' CB ' ' A' ' 39' ' ' ASP . 32.9 t60 -84.11 -34.77 24.06 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.899 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.736 HD21 ' SG ' ' A' ' 19' ' ' CYS . 92.4 mt -80.52 6.01 13.66 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 -179.966 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 24.0 tp60 -95.08 -51.83 4.48 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.926 179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -154.33 30.57 0.43 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.864 179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.466 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 6.3 t0 -125.95 -26.94 3.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.844 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.444 ' N ' ' O ' ' A' ' 35' ' ' HIS . 7.6 t -69.0 124.13 89.68 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.629 0.728 . . . . 0.0 110.845 -179.886 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.8 -38.22 8.0 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.635 2.223 . . . . 0.0 112.354 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.503 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 16.0 mmtm -93.54 22.32 5.48 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.932 179.87 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.448 ' NE ' ' HA ' ' A' ' 55' ' ' SER . 0.0 OUTLIER -49.17 -20.69 0.63 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.898 179.968 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.503 ' CD ' ' O ' ' A' ' 42' ' ' LYS . 35.8 mmm-85 76.79 52.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.869 -179.921 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.421 HD12 ' CZ ' ' A' ' 43' ' ' ARG . 13.1 mt -142.92 104.07 4.27 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.914 -179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.468 ' HG3' ' N ' ' A' ' 52' ' ' CYS . 3.0 ttpm? -114.1 159.33 20.15 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.869 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . 0.417 ' N ' ' CG ' ' A' ' 46' ' ' LYS . 42.4 t -72.31 140.1 48.35 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.898 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -85.0 19.4 2.15 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.935 -179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . . . . . . . . . 46.2 m-85 -128.58 -74.02 0.58 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.848 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 12.9 p -74.14 -32.99 63.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.819 -179.909 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' CA ' ' HD2' ' A' ' 46' ' ' LYS . . . 80.83 55.86 3.24 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.522 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.468 ' N ' ' HG3' ' A' ' 46' ' ' LYS . 72.9 m -140.4 118.08 11.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.846 0.355 . . . . 0.0 110.878 -179.866 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.439 ' C ' ' O ' ' A' ' 52' ' ' CYS . 43.0 p-10 -34.72 146.97 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 -179.96 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.456 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 21.3 m-85 -147.47 169.55 19.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.913 -179.933 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.448 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 1.4 m -92.96 -177.83 4.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.861 -179.774 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.412 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -68.75 -78.08 0.34 Allowed Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.473 179.982 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 22.8 tt0 -51.73 -25.12 6.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.874 0.368 . . . . 0.0 110.878 -179.877 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.472 ' O ' ' N ' ' A' ' 60' ' ' GLU . . . -74.95 -64.8 0.97 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.092 179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.432 ' C ' ' O ' ' A' ' 58' ' ' ALA . 12.2 t80 -36.06 -31.7 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.96 -179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . 0.472 ' N ' ' O ' ' A' ' 58' ' ' ALA . 5.4 mm-40 -74.61 -49.84 20.13 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.861 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . 0.434 ' N ' ' O ' ' A' ' 58' ' ' ALA . 45.5 m -71.64 -18.03 62.22 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.84 -179.773 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 85.7 t60 -74.17 -22.79 59.27 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 pt-20 -55.33 128.6 34.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.898 -179.942 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 85.25 -40.51 3.01 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.482 -179.951 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -89.74 39.73 0.97 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.873 0.368 . . . . 0.0 110.925 179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 47.8 t -84.36 134.61 42.6 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.569 0.7 . . . . 0.0 110.889 -179.96 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.73 -30.81 21.85 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.669 2.246 . . . . 0.0 112.377 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 9.1 mm-40 -124.33 70.77 1.11 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.909 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 52.5 tt0 -73.59 84.77 1.56 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.884 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 1.3 p -68.0 72.22 0.17 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.86 -179.805 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 8.6 m -150.91 126.13 9.96 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.858 -179.838 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.16 153.45 8.71 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.515 -179.946 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -14.11 35.64 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.626 2.218 . . . . 0.0 112.389 -179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 9.4 t -118.28 139.83 50.74 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.823 -179.837 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 31.9 t -162.33 173.63 13.9 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.829 -179.825 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 CA-C-O 119.122 -0.821 . . . . 0.0 112.495 -179.983 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.316 0 N-CA-C 112.475 -0.25 . . . . 0.0 112.475 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.8 p -143.61 144.35 31.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.865 0.364 . . . . 0.0 110.867 -179.681 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 14.1 t -115.15 175.37 5.54 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.823 -179.833 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.49 -126.36 0.81 Allowed Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.491 179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.9 t 57.07 36.54 27.79 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.723 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 29.0 t -53.39 -60.55 3.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.856 -179.823 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.7 169.77 7.29 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.466 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.557 ' C ' HD13 ' A' ' 9' ' ' LEU . 9.1 p-80 -164.31 152.22 12.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.848 0.356 . . . . 0.0 110.834 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.711 ' N ' HD13 ' A' ' 9' ' ' LEU . 0.0 OUTLIER -151.42 173.61 14.34 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.885 -179.975 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 83.9 m-20 -146.65 126.79 13.79 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.886 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . 0.404 ' O ' HG22 ' A' ' 11' ' ' THR . 33.4 m -59.49 88.7 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.108 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 24.7 p -102.64 178.0 4.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.873 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . 0.544 ' O ' ' CD1' ' A' ' 14' ' ' PHE . 1.1 t -106.59 97.3 7.11 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.827 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' CD1' ' O ' ' A' ' 13' ' ' SER . 14.9 m-85 -149.23 130.1 14.27 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.908 179.991 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 47.2 t30 -79.33 95.18 5.64 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.886 -179.944 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.553 HG13 ' O ' ' A' ' 27' ' ' LEU . 5.7 t -154.45 162.61 1.91 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.174 179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.475 ' N ' HG12 ' A' ' 16' ' ' VAL . 4.3 pt -106.04 139.75 20.57 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.624 0.726 . . . . 0.0 111.135 179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 144.25 53.39 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.672 2.248 . . . . 0.0 112.348 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.642 ' SG ' HD21 ' A' ' 36' ' ' LEU . 6.4 t -65.29 134.17 95.69 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.707 . . . . 0.0 110.913 179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.456 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.5 Cg_endo -69.78 -16.11 37.34 Favored 'Trans proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 2.279 . . . . 0.0 112.322 179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.515 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 29.0 m-20 -74.68 -10.18 59.28 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.878 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.515 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 0.0 OUTLIER 84.27 22.24 0.13 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.814 -179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -95.26 140.14 22.29 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.626 0.726 . . . . 0.0 110.892 -179.973 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 64.71 1.82 Allowed 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.699 2.266 . . . . 0.0 112.346 179.929 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 0.9 OUTLIER -154.78 128.84 8.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.887 179.885 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.847 ' C ' HD13 ' A' ' 27' ' ' LEU . 69.3 mttt -112.23 130.01 56.07 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.911 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.847 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -113.43 -70.03 0.83 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.863 179.948 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.496 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 3.3 t 161.31 177.95 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.862 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.469 ' N ' ' OG ' ' A' ' 28' ' ' SER . 19.8 mtt180 -82.31 17.98 1.55 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.895 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -132.01 -44.72 0.95 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.843 -179.888 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 73.1 m-20 -88.28 14.81 8.67 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.681 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.5 OUTLIER -65.03 -50.13 63.62 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.606 0.717 . . . . 0.0 110.904 -179.913 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.681 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.1 Cg_endo -69.79 -40.02 5.77 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.681 2.254 . . . . 0.0 112.372 179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -71.31 -9.91 58.91 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.071 179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.566 ' CE1' ' HA ' ' A' ' 40' ' ' CYS . 48.5 t60 -97.05 -40.08 9.02 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.869 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.642 HD21 ' SG ' ' A' ' 19' ' ' CYS . 11.6 mt -75.96 -5.26 45.41 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.93 -179.972 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 2.7 tp60 -82.9 -70.67 0.54 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -138.85 25.84 2.52 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.843 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.508 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.5 OUTLIER -130.63 9.26 5.02 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 179.997 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.566 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 41.4 t -113.26 134.62 21.85 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.582 0.706 . . . . 0.0 110.915 -179.923 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 -39.49 6.35 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.501 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.0 OUTLIER -100.44 32.57 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.93 179.881 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -38.75 -26.19 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.501 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER 53.27 52.42 13.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 -179.922 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 43.3 mt -115.25 106.32 13.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.925 -179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 33.5 tttt -110.24 146.69 35.18 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.899 179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 13.4 t -81.8 125.84 31.15 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.884 179.942 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.46 ' CD ' ' O ' ' A' ' 48' ' ' GLU . 2.4 tp10 -76.03 -13.65 60.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' HG2' ' A' ' 69' ' ' GLU . 9.4 m-30 -81.82 -65.27 1.03 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.92 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.425 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 17.6 p -87.75 -50.0 6.76 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.911 -179.978 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 109.49 41.71 1.33 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 88.4 m -122.8 169.48 11.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.826 0.346 . . . . 0.0 110.88 -179.896 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 2.6 p-10 -93.29 143.83 25.89 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.887 -179.966 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 83.9 m-85 -148.81 -176.66 5.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.914 -179.919 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' H ' ' HB3' ' A' ' 58' ' ' ALA . 1.2 m -114.75 179.99 3.79 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.835 -179.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -61.04 -64.81 3.74 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.461 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -63.34 -35.89 81.88 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.896 0.379 . . . . 0.0 110.912 -179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.454 ' HB3' ' H ' ' A' ' 55' ' ' SER . . . -63.35 -54.88 30.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.099 179.87 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 12.5 t80 -52.12 -38.92 58.96 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.91 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 2.7 tt0 -43.84 -57.11 3.44 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.876 179.999 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 6.4 m -70.6 -40.99 72.88 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.87 -179.765 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.439 ' O ' ' C ' ' A' ' 63' ' ' GLU . 53.2 t60 -62.77 -16.86 59.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.868 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.453 ' HG3' ' N ' ' A' ' 64' ' ' GLY . 8.7 tp10 -35.1 -85.58 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 -179.909 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.453 ' N ' ' HG3' ' A' ' 63' ' ' GLU . . . -82.32 -12.36 80.72 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.47 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 3.0 tmm? -90.8 43.54 1.15 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.765 0.317 . . . . 0.0 110.874 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . 0.413 ' SG ' ' CB ' ' A' ' 49' ' ' PHE . 40.2 t -88.13 137.05 31.37 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.654 0.74 . . . . 0.0 110.819 -179.904 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.71 -34.19 15.24 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.7 2.266 . . . . 0.0 112.391 179.894 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.425 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 2.7 mp0 -122.47 82.03 1.92 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' HG2' ' CD2' ' A' ' 49' ' ' PHE . 4.6 tm-20 -101.54 -57.64 2.04 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.921 -179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 39.0 m -89.12 -12.33 41.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.891 -179.83 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 5.9 m -138.95 136.39 35.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.856 -179.831 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -68.92 -176.67 12.91 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.49 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.76 -13.33 34.52 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.662 2.241 . . . . 0.0 112.345 -179.91 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 2.3 p 49.66 27.37 2.16 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.826 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 24.9 m -68.14 174.67 3.7 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.846 -179.811 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 CA-C-O 119.151 -0.805 . . . . 0.0 112.528 179.979 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.464 -0.254 . . . . 0.0 112.464 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.0 OUTLIER -161.44 129.27 4.2 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.847 0.356 . . . . 0.0 110.87 -179.721 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 17.2 t -69.44 110.56 4.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.852 -179.818 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -151.18 163.68 29.88 Favored Glycine 0 N--CA 1.452 -0.259 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.463 -179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 15.6 m -99.4 168.22 10.14 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.885 0.374 . . . . 0.0 110.841 -179.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.3 m -99.01 -67.4 0.85 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.866 -179.809 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 162.52 175.57 33.68 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.492 179.987 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . 0.665 ' C ' HD12 ' A' ' 9' ' ' LEU . 8.5 t60 -142.63 127.65 18.46 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.855 0.36 . . . . 0.0 110.855 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.665 HD12 ' C ' ' A' ' 8' ' ' HIS . 3.2 mp -150.18 135.79 18.27 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.981 -179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 0.6 OUTLIER -126.43 171.01 11.38 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.893 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 m -113.16 135.76 53.46 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.111 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 3.2 p -143.39 147.64 34.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.886 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 10.7 m -132.29 65.88 1.57 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.897 -179.734 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.444 ' O ' ' C ' ' A' ' 15' ' ' ASN . 59.9 t80 -83.42 77.48 9.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.886 -179.939 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.444 ' C ' ' O ' ' A' ' 14' ' ' PHE . 0.7 OUTLIER 34.79 38.18 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.882 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.474 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 7.5 m -70.72 178.76 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.14 179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.591 HD11 HD22 ' A' ' 32' ' ' LEU . 7.5 pt -137.73 154.16 74.55 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.559 0.695 . . . . 0.0 111.142 179.909 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 136.17 32.33 Favored 'Trans proline' 0 C--O 1.231 0.149 0 C-N-CA 122.677 2.251 . . . . 0.0 112.311 179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.496 ' SG ' HD21 ' A' ' 36' ' ' LEU . 36.0 t -58.45 134.48 85.46 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.566 0.698 . . . . 0.0 110.912 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 -26.53 27.37 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.308 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.401 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 21.5 m-20 -64.95 -6.38 8.32 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.87 179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.401 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 16.4 mtp180 76.85 49.32 0.05 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.932 -179.93 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -124.72 142.58 41.14 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.595 0.712 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 64.51 1.81 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.676 2.251 . . . . 0.0 112.33 179.949 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 2.0 mtp -157.98 117.54 3.26 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.858 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.602 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.9 mttm -104.84 124.24 49.1 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.908 179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.776 HD22 ' H ' ' A' ' 27' ' ' LEU . 0.0 OUTLIER -107.91 -70.7 0.79 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.942 179.939 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.519 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 159.38 177.45 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.893 -179.933 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.532 ' CD ' HD13 ' A' ' 17' ' ' ILE . 12.7 mmm180 -78.75 13.79 1.56 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.865 -179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 21.5 mmt85 -121.72 -46.61 2.23 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.838 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . 0.443 ' O ' ' CB ' ' A' ' 35' ' ' HIS . 0.4 OUTLIER -88.72 7.72 32.34 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.887 179.969 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.663 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 6.1 tp -65.99 -50.29 53.01 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.585 0.707 . . . . 0.0 110.912 -179.958 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.663 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.75 -28.92 24.72 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.703 2.268 . . . . 0.0 112.342 179.882 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -88.66 -22.19 23.55 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.885 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.478 ' O ' ' N ' ' A' ' 40' ' ' CYS . 52.2 t60 -78.7 -33.64 46.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.883 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.496 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.7 mt -83.04 -2.2 54.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.944 -179.997 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.465 ' O ' ' N ' ' A' ' 56' ' ' GLY . 2.9 tm0? -86.59 -58.85 2.46 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.857 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . 0.454 ' CB ' ' HB3' ' A' ' 55' ' ' SER . 0.8 OUTLIER -150.25 29.38 0.71 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.896 -179.995 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.459 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -132.53 4.05 3.92 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.835 -179.973 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.478 ' N ' ' O ' ' A' ' 35' ' ' HIS . 42.5 t -102.08 134.15 20.24 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.914 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -39.81 6.1 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.729 2.286 . . . . 0.0 112.329 179.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.494 ' O ' ' N ' ' A' ' 44' ' ' ARG . 8.7 mmmt -92.78 24.1 3.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.893 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.43 ' NE ' ' O ' ' A' ' 54' ' ' PHE . 3.8 ptt180 -36.28 -30.32 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.848 179.987 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.494 ' N ' ' O ' ' A' ' 42' ' ' LYS . 34.3 mtp180 61.82 40.21 13.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.852 -179.871 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 11.0 mt -115.88 111.73 20.88 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.966 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . 0.413 ' HD2' ' N ' ' A' ' 52' ' ' CYS . 0.2 OUTLIER -122.19 136.75 54.95 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.897 179.846 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 36.5 t -71.34 129.9 40.0 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.878 179.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 3.8 mt-10 -87.77 28.34 1.03 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.876 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.478 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 2.1 m-85 -131.3 -64.81 0.79 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.901 -179.906 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.484 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.6 p -85.0 -37.55 20.27 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.876 -179.921 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 93.03 52.11 2.13 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.474 179.99 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.413 ' N ' ' HD2' ' A' ' 46' ' ' LYS . 16.4 m -141.23 137.75 32.8 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.81 0.338 . . . . 0.0 110.904 -179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -60.97 141.83 57.01 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.849 -179.94 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.781 ' CZ ' ' CE1' ' A' ' 62' ' ' HIS . 60.2 m-85 -143.5 175.4 9.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.884 -179.846 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HB3' ' CB ' ' A' ' 38' ' ' HIS . 3.7 m -98.51 -175.03 2.97 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.848 -179.803 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . -72.95 -58.33 4.83 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . 0.47 ' OE1' ' N ' ' A' ' 58' ' ' ALA . 0.9 OUTLIER -64.16 -22.21 66.85 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.862 0.363 . . . . 0.0 110.856 -179.804 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.47 ' N ' ' OE1' ' A' ' 57' ' ' GLU . . . -87.15 -55.47 3.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.068 179.954 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 11.2 t80 -45.62 -31.37 1.86 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.905 -179.837 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 39.0 mt-10 -73.2 -52.18 15.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.893 179.989 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 9.0 t -80.5 -5.94 57.42 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.827 -179.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.781 ' CE1' ' CZ ' ' A' ' 54' ' ' PHE . 49.8 t60 -91.89 -9.76 42.05 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.846 179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.5 pt-20 -67.43 -31.99 72.56 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.887 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -103.76 -21.34 9.78 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.54 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . 0.477 ' CG ' ' O ' ' A' ' 65' ' ' MET . 3.2 ttp -103.3 14.74 30.88 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-O 120.813 0.34 . . . . 0.0 110.903 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 13.3 t -60.07 138.88 91.15 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.647 0.737 . . . . 0.0 110.849 -179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 -35.68 12.13 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.693 2.262 . . . . 0.0 112.378 179.923 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.484 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 5.1 mt-30 -124.2 83.63 2.17 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.949 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 23.9 mt-10 -83.2 86.77 6.97 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.881 -179.91 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 3.9 p 51.67 30.75 7.02 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.846 -179.803 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 2.9 p -124.63 151.89 44.31 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.873 -179.83 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 157.57 76.34 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.699 -0.763 . . . . 0.0 112.447 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 0.5 5.54 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.643 2.228 . . . . 0.0 112.362 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 7.2 p -99.63 -175.96 3.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.879 -179.868 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 34.8 t -129.77 158.22 40.01 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.837 -179.779 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.302 0 CA-C-O 119.141 -0.81 . . . . 0.0 112.467 179.992 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.319 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 59.0 p -123.55 171.49 9.48 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.835 0.35 . . . . 0.0 110.898 -179.786 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . 0.409 ' O ' ' C ' ' A' ' 4' ' ' GLY . 12.3 m -127.36 2.53 6.32 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.86 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.409 ' C ' ' O ' ' A' ' 3' ' ' SER . . . 37.99 89.18 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 -179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 92.3 p -85.02 160.99 19.91 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.931 0.396 . . . . 0.0 110.858 -179.794 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.8 t -171.19 -179.68 2.76 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.836 -179.803 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -177.27 -179.17 47.46 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.487 -179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 15.0 m-70 -143.93 139.3 29.07 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.872 0.368 . . . . 0.0 110.873 -179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 10.2 mt -102.49 129.37 49.0 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 -179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 21.7 p-10 -130.98 173.97 10.46 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 1.7 t -135.1 158.16 45.07 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.153 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.8 OUTLIER -115.85 -174.55 2.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.994 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 3.8 t -127.16 -8.88 5.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.889 -179.729 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 14.2 m-85 -63.41 169.22 3.87 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.875 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -60.9 107.33 0.69 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.85 -179.899 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.435 ' CG2' ' HB3' ' A' ' 26' ' ' LYS . 5.0 m -145.71 144.75 20.88 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.098 -0.501 . . . . 0.0 111.108 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.589 HD11 HD22 ' A' ' 32' ' ' LEU . 5.6 pt -107.03 155.09 39.84 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.631 0.729 . . . . 0.0 111.105 179.944 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 149.31 66.57 Favored 'Trans proline' 0 C--O 1.232 0.206 0 C-N-CA 122.708 2.272 . . . . 0.0 112.354 179.881 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.707 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.8 t -73.71 134.02 79.12 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.708 . . . . 0.0 110.88 -179.975 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 -19.99 35.24 Favored 'Trans proline' 0 C--N 1.341 0.152 0 C-N-CA 122.639 2.226 . . . . 0.0 112.331 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.74 ' OD1' HD22 ' A' ' 36' ' ' LEU . 3.8 m-20 -68.44 -10.59 56.36 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.876 -179.967 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.51 ' CG ' ' O ' ' A' ' 22' ' ' ARG . 0.5 OUTLIER 84.0 22.65 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.879 -179.969 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.5 p -97.05 139.62 21.62 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.631 0.729 . . . . 0.0 110.909 -179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 64.1 1.81 Allowed 'Trans proline' 0 C--N 1.342 0.212 0 C-N-CA 122.676 2.251 . . . . 0.0 112.351 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.4 mmm -155.47 131.81 10.28 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.86 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.983 ' C ' HD13 ' A' ' 27' ' ' LEU . 68.0 mttt -115.06 136.87 52.64 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.887 179.948 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.983 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -120.15 -71.19 0.75 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.918 179.873 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.532 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.8 OUTLIER 158.63 175.07 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.848 -179.911 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.46 ' CG ' HD13 ' A' ' 17' ' ' ILE . 31.4 mtp180 -79.02 11.7 2.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.873 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 4.1 mpt_? -119.52 -47.22 2.45 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.868 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 40.7 m-20 -88.59 7.95 30.78 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.86 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.66 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 7.2 tp -63.41 -50.23 74.78 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.614 0.721 . . . . 0.0 110.883 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.66 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 54.2 Cg_endo -69.7 -22.14 32.77 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.682 2.255 . . . . 0.0 112.378 179.854 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -90.55 -26.84 19.52 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.47 ' O ' ' N ' ' A' ' 40' ' ' CYS . 40.9 t60 -78.08 -33.42 50.77 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.871 179.991 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.74 HD22 ' OD1' ' A' ' 21' ' ' ASN . 74.1 mt -82.94 9.17 10.64 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.886 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 35.0 tt0 -98.66 -50.24 4.32 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.941 179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.9 OUTLIER -155.64 28.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.842 179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.457 ' CB ' ' HA ' ' A' ' 35' ' ' HIS . 3.0 t0 -125.41 -25.38 3.76 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.854 179.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.47 ' N ' ' O ' ' A' ' 35' ' ' HIS . 9.2 t -71.49 124.48 91.01 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.667 0.746 . . . . 0.0 110.945 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -45.55 1.55 Allowed 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 2.27 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.506 ' O ' ' CD ' ' A' ' 44' ' ' ARG . 3.8 mmtp -84.22 18.97 1.97 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.87 179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.459 ' CZ ' ' HG ' ' A' ' 45' ' ' LEU . 0.2 OUTLIER -49.21 -20.77 0.66 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.895 179.966 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.557 ' O ' HD22 ' A' ' 45' ' ' LEU . 21.5 mmm180 76.9 55.2 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.891 -179.924 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.866 HD12 ' CG ' ' A' ' 59' ' ' TYR . 0.5 OUTLIER -122.84 104.9 9.58 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.95 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 49.0 tttt -127.51 137.49 52.66 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.888 179.843 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 8.1 t -64.71 158.06 25.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.829 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -98.45 -28.4 13.64 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.404 ' CD1' ' N ' ' A' ' 49' ' ' PHE . 0.3 OUTLIER -84.72 -70.96 0.54 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.897 -179.938 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.479 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 15.9 p -73.71 -29.01 62.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.896 -179.961 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 68.24 59.2 6.5 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.471 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.478 ' O ' ' CD2' ' A' ' 54' ' ' PHE . 61.5 m -134.59 130.82 37.08 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.792 0.33 . . . . 0.0 110.857 -179.893 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 12.7 p30 -54.04 141.92 26.83 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 179.998 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.478 ' CD2' ' O ' ' A' ' 52' ' ' CYS . 45.1 m-85 -148.76 166.75 27.51 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.911 -179.932 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.447 ' O ' ' CB ' ' A' ' 59' ' ' TYR . 0.7 OUTLIER -97.68 -173.51 2.65 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.769 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.4 ' HA2' ' NH2' ' A' ' 43' ' ' ARG . . . -71.15 -35.44 64.18 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.491 179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 33.6 tt0 -75.31 -26.12 58.41 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.87 0.366 . . . . 0.0 110.844 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . 0.451 ' O ' ' N ' ' A' ' 62' ' ' HIS . . . -97.99 -60.37 1.57 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.08 179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.866 ' CG ' HD12 ' A' ' 45' ' ' LEU . 51.9 t80 -45.05 -30.61 1.1 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.889 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 11.8 mm-40 -72.54 -60.04 2.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.953 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 22.6 m -75.74 -5.13 44.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.807 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.451 ' N ' ' O ' ' A' ' 58' ' ' ALA . 37.6 t60 -91.07 -13.24 33.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.856 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.0 pt-20 -66.87 -24.38 66.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.901 -179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -106.68 -23.8 7.0 Favored Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.494 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 7.2 mtp -120.27 86.26 2.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.834 0.349 . . . . 0.0 110.914 179.991 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 40.9 t -108.8 136.94 19.95 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.659 0.742 . . . . 0.0 110.885 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -30.43 22.25 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.662 2.241 . . . . 0.0 112.356 179.978 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.479 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 14.0 mt-30 -124.55 77.17 1.56 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.942 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -81.99 -34.61 29.58 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.854 -179.882 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 24.8 t -62.85 104.05 0.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.867 -179.795 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 65.3 m -63.91 163.47 11.95 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.902 -179.839 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.62 66.94 1.71 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.74 149.97 67.71 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.696 2.264 . . . . 0.0 112.369 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 11.9 t -92.94 -27.72 16.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.814 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 4.8 t -147.42 167.37 24.56 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.898 -179.838 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.317 0 CA-C-O 119.1 -0.833 . . . . 0.0 112.443 -179.995 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.262 0 N-CA-C 112.491 -0.244 . . . . 0.0 112.491 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 41.1 p -144.61 127.4 16.28 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-O 120.86 0.362 . . . . 0.0 110.841 -179.729 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 37.2 t -45.42 108.39 0.12 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.831 -179.796 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.91 140.3 4.14 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.483 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.416 ' O ' ' C ' ' A' ' 6' ' ' SER . 49.8 p -61.21 138.64 58.22 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.909 0.385 . . . . 0.0 110.869 -179.737 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 5' ' ' SER . 20.4 m -36.99 122.71 0.84 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.823 -179.781 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.13 157.63 28.19 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.469 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 8.2 m-70 -134.02 142.69 47.71 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.816 0.341 . . . . 0.0 110.885 -179.953 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . . . . . . . . . 1.1 pt? -60.04 164.98 3.59 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.901 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . . . . . . . . . 1.3 p30 -91.13 179.31 5.76 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.888 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 5.1 t -153.04 171.17 18.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.172 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 11.0 p -141.64 175.24 9.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.857 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 70.5 m -79.34 172.81 13.28 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.855 -179.764 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . 0.544 ' CD1' ' N ' ' A' ' 14' ' ' PHE . 0.0 OUTLIER -174.12 164.46 4.06 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.893 -179.957 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . 0.838 ' O ' HG13 ' A' ' 16' ' ' VAL . 21.4 t-20 -77.55 111.12 12.95 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.937 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.838 HG13 ' O ' ' A' ' 15' ' ' ASN . 0.0 OUTLIER -175.31 148.16 0.37 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.101 179.943 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.862 HD11 HD22 ' A' ' 32' ' ' LEU . 25.6 pt -122.27 152.51 60.78 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.636 0.731 . . . . 0.0 111.122 179.918 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 144.88 55.22 Favored 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.896 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.488 ' SG ' HD21 ' A' ' 36' ' ' LEU . 9.7 t -67.1 133.73 93.66 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.661 0.743 . . . . 0.0 110.867 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 -26.45 27.75 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.708 2.272 . . . . 0.0 112.371 179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.424 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 25.7 m-20 -63.91 -7.05 7.09 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 179.974 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.424 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 8.0 mtt85 78.78 48.88 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.863 -179.959 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.3 p -126.0 140.5 37.0 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.626 0.727 . . . . 0.0 110.915 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 64.56 1.8 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.677 2.251 . . . . 0.0 112.359 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . . . . . . . . . 3.5 mtp -155.4 117.5 4.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.875 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.711 ' C ' HD13 ' A' ' 27' ' ' LEU . 13.6 mttm -103.49 123.14 46.34 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.893 179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.733 ' O ' HG12 ' A' ' 16' ' ' VAL . 0.0 OUTLIER -108.28 -69.97 0.83 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.932 179.905 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.51 ' CB ' ' O ' ' A' ' 27' ' ' LEU . 0.2 OUTLIER 160.12 175.39 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.959 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.581 ' CG ' HD13 ' A' ' 17' ' ' ILE . 66.3 mtp180 -80.14 12.9 2.55 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 -179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 67.5 mtt180 -121.21 -47.18 2.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.888 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 88.1 m-20 -87.97 4.04 46.47 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.889 179.961 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.862 HD22 HD11 ' A' ' 17' ' ' ILE . 6.5 tp -58.1 -50.21 89.36 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.614 0.721 . . . . 0.0 110.898 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.667 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.3 Cg_endo -69.8 -31.09 21.01 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.696 2.264 . . . . 0.0 112.294 179.917 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -81.73 -20.45 39.35 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.151 179.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.539 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.3 t60 -85.35 -30.05 23.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.845 179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.488 HD21 ' SG ' ' A' ' 19' ' ' CYS . 2.4 mt -85.69 -4.6 59.21 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.907 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -83.5 -54.41 4.97 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.885 179.91 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.6 OUTLIER -155.18 30.13 0.4 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.857 -179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.539 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.2 OUTLIER -134.07 8.96 3.79 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.881 179.992 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.427 ' N ' ' O ' ' A' ' 35' ' ' HIS . 43.9 t -107.52 130.81 22.31 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.614 0.721 . . . . 0.0 110.861 -179.894 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 -42.26 3.57 Favored 'Trans proline' 0 C--O 1.232 0.194 0 C-N-CA 122.688 2.258 . . . . 0.0 112.329 179.931 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.459 ' O ' ' NE ' ' A' ' 44' ' ' ARG . 12.6 mmtm -96.46 31.44 2.25 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.892 179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.476 ' NH2' HD13 ' A' ' 45' ' ' LEU . 0.0 OUTLIER -54.85 -20.39 8.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.83 -179.979 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.459 ' NE ' ' O ' ' A' ' 42' ' ' LYS . 0.1 OUTLIER 65.32 50.61 1.72 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.888 -179.883 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . 0.476 HD13 ' NH2' ' A' ' 43' ' ' ARG . 11.9 mt -145.04 104.71 4.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.933 179.985 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -124.21 156.9 35.98 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.911 179.851 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -55.79 147.0 19.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.903 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 9.4 pt-20 -95.58 22.72 6.78 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.903 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.498 ' CD2' ' OE2' ' A' ' 69' ' ' GLU . 82.0 m-85 -129.54 -56.92 1.14 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.86 -179.92 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . . . . . . . . . 13.4 p -94.87 2.34 55.42 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.916 -179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 42.08 59.58 2.9 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.509 -179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . 0.432 ' O ' ' C ' ' A' ' 53' ' ' ASP . 91.3 m -135.68 117.8 15.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 120.847 0.356 . . . . 0.0 110.903 -179.867 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . 0.432 ' C ' ' O ' ' A' ' 52' ' ' CYS . 14.2 p-10 -35.82 142.18 0.08 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.885 -179.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . . . . . . . . . 7.3 m-85 -146.04 -175.98 4.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.878 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.454 ' HA ' ' NE ' ' A' ' 43' ' ' ARG . 0.8 OUTLIER -106.98 -174.98 2.67 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.858 -179.791 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . . . . . . . . . . . -75.86 -60.52 3.13 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.455 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 4.7 pt-20 -70.38 -22.47 62.76 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.891 0.377 . . . . 0.0 110.87 -179.843 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -82.32 -47.42 12.38 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.122 179.94 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . 0.521 ' CD1' ' O ' ' A' ' 59' ' ' TYR . 3.3 t80 -53.74 -23.93 13.33 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.908 -179.861 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 1.8 tt0 -78.57 -58.59 3.17 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.913 179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 11.1 t -63.72 -10.6 20.3 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.868 -179.814 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . . . . . . . . . 48.5 t60 -84.12 -11.49 56.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.867 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.3 tt0 -69.3 -10.37 57.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.889 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -104.8 -9.83 34.08 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.506 -179.93 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 4.2 ttp -148.97 114.92 5.72 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.817 0.341 . . . . 0.0 110.877 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 46.7 t -130.42 134.84 26.54 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.657 0.741 . . . . 0.0 110.874 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 -35.57 12.47 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.668 2.245 . . . . 0.0 112.374 179.927 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.3 mt-30 -122.08 75.72 1.24 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.916 -179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . 0.498 ' OE2' ' CD2' ' A' ' 49' ' ' PHE . 3.8 tp10 -83.05 1.59 39.32 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.875 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 41.1 t 57.97 30.91 19.89 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.765 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 14.5 m -88.06 -66.36 0.92 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.856 -179.807 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -170.28 83.43 0.09 OUTLIER Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.493 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 127.92 15.3 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.73 2.287 . . . . 0.0 112.311 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . . . . . . . . . 44.7 p -96.68 118.62 33.54 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.849 -179.863 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 16.1 m -98.88 -175.06 2.94 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.917 -179.834 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 CA-C-O 119.112 -0.827 . . . . 0.0 112.498 179.99 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.455 -0.258 . . . . 0.0 112.455 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 47.8 t -127.01 130.09 49.36 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.899 0.38 . . . . 0.0 110.878 -179.751 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 t -90.85 -53.08 4.55 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.84 -179.791 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -81.2 -168.78 40.72 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.472 -179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 65.0 p -161.64 156.18 22.8 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.887 0.375 . . . . 0.0 110.845 -179.74 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 31.6 t -72.23 148.9 45.07 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.833 -179.792 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 100.39 83.28 1.73 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.479 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' HIS . . . . . . . . . . . . . 71.6 t60 -161.03 136.38 7.78 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.788 0.328 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' LEU . . . . . 0.792 HD22 ' N ' ' A' ' 10' ' ' ASN . 0.0 OUTLIER -129.54 178.26 6.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.918 -179.92 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' ASN . . . . . 0.792 ' N ' HD22 ' A' ' 9' ' ' LEU . 3.8 m120 -152.02 173.88 14.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.891 179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' THR . . . . . . . . . . . . . 10.2 t -124.67 -19.56 5.32 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.197 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' CYS . . . . . . . . . . . . . 0.1 OUTLIER -90.25 -39.0 13.04 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.907 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' SER . . . . . . . . . . . . . 0.5 OUTLIER 71.48 117.29 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.831 -179.786 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' PHE . . . . . . . . . . . . . 6.8 m-85 -96.4 173.12 7.53 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.913 -179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.0 t30 -95.6 95.03 8.09 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.908 -179.957 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' VAL . . . . . 0.627 HG23 ' N ' ' A' ' 17' ' ' ILE . 0.9 OUTLIER -143.06 -175.16 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.187 -0.461 . . . . 0.0 111.142 179.949 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.627 ' N ' HG23 ' A' ' 16' ' ' VAL . 19.2 pt -130.51 151.55 78.83 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.62 0.724 . . . . 0.0 111.111 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 151.97 69.2 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.698 2.265 . . . . 0.0 112.363 179.854 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' CYS . . . . . 0.504 ' SG ' ' CD2' ' A' ' 36' ' ' LEU . 43.3 t -69.86 135.14 87.74 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.654 0.74 . . . . 0.0 110.847 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.473 ' CD ' HD11 ' A' ' 32' ' ' LEU . 53.8 Cg_endo -69.79 -22.93 31.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.668 2.245 . . . . 0.0 112.351 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ASN . . . . . 0.426 ' O ' ' CB ' ' A' ' 22' ' ' ARG . 5.5 m-20 -66.43 -7.26 18.24 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.906 179.969 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ARG . . . . . 0.426 ' CB ' ' O ' ' A' ' 21' ' ' ASN . 5.9 mtp85 78.0 27.36 0.56 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.905 -179.933 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' CYS . . . . . . . . . . . . . 1.0 OUTLIER -103.03 144.34 28.42 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.655 0.74 . . . . 0.0 110.891 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 64.21 1.79 Allowed 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.697 2.265 . . . . 0.0 112.369 179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' MET . . . . . 0.435 ' HE3' ' HB3' ' A' ' 25' ' ' MET . 1.5 mmm -159.78 127.59 4.77 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.871 179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.936 ' C ' HD13 ' A' ' 27' ' ' LEU . 19.2 mttp -118.7 143.59 46.77 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.862 179.955 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' LEU . . . . . 0.936 HD13 ' C ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -121.34 -71.69 0.72 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.924 179.911 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' SER . . . . . 0.48 ' OG ' ' N ' ' A' ' 29' ' ' ARG . 11.4 t 170.22 -177.73 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.841 -179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.48 ' N ' ' OG ' ' A' ' 28' ' ' SER . 56.7 mtp180 -87.94 24.13 1.87 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.11 -0.495 . . . . 0.0 110.873 -179.913 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' ARG . . . . . . . . . . . . . 43.2 ttt-85 -138.27 -41.24 0.52 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ASP . . . . . . . . . . . . . 19.5 m-20 -88.88 7.66 33.2 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.847 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' LEU . . . . . 0.675 ' N ' ' HD2' ' A' ' 33' ' ' PRO . 0.2 OUTLIER -64.56 -49.1 72.52 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.629 0.728 . . . . 0.0 110.968 -179.976 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' PRO . . . . . 0.675 ' HD2' ' N ' ' A' ' 32' ' ' LEU . 53.7 Cg_endo -69.79 -6.76 19.39 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.692 2.261 . . . . 0.0 112.362 179.86 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' ALA . . . . . . . . . . . . . . . -113.37 7.14 17.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.881 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' HIS . . . . . 0.57 ' CE1' ' O ' ' A' ' 39' ' ' ASP . 50.4 t60 -108.86 -39.16 5.41 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.829 -179.943 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LEU . . . . . 0.504 ' CD2' ' SG ' ' A' ' 19' ' ' CYS . 5.2 mt -77.05 -3.53 39.62 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 -179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLN . . . . . 0.459 ' O ' ' N ' ' A' ' 56' ' ' GLY . 34.4 tt0 -85.14 -66.97 0.84 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.933 179.94 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' HIS . . . . . . . . . . . . . 0.8 OUTLIER -140.88 27.22 2.01 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.857 179.99 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' ASP . . . . . 0.57 ' O ' ' CE1' ' A' ' 35' ' ' HIS . 0.1 OUTLIER -133.66 10.26 3.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.833 -179.958 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' CYS . . . . . 0.505 ' HA ' ' CE1' ' A' ' 35' ' ' HIS . 52.3 t -111.53 131.59 22.25 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.665 0.745 . . . . 0.0 110.895 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.75 -39.8 6.11 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.736 2.291 . . . . 0.0 112.298 179.981 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' LYS . . . . . 0.502 ' O ' ' N ' ' A' ' 44' ' ' ARG . 0.2 OUTLIER -101.59 33.27 3.02 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.864 179.955 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ARG . . . . . 0.445 ' C ' ' O ' ' A' ' 42' ' ' LYS . 0.0 OUTLIER -32.86 -35.15 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.905 179.983 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ARG . . . . . 0.502 ' N ' ' O ' ' A' ' 42' ' ' LYS . 0.2 OUTLIER 61.66 54.36 3.0 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.85 -179.946 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' LEU . . . . . . . . . . . . . 8.7 mt -130.13 103.89 7.0 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.912 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' LYS . . . . . . . . . . . . . 0.2 OUTLIER -124.47 157.72 34.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.869 179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' CYS . . . . . . . . . . . . . 51.2 t -83.62 127.29 33.64 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.878 179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.585 ' HG3' ' CE1' ' A' ' 49' ' ' PHE . 18.9 pt-20 -81.74 16.09 1.93 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.919 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' PHE . . . . . 0.585 ' CE1' ' HG3' ' A' ' 48' ' ' GLU . 9.3 m-85 -116.5 -61.65 1.69 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.899 -179.909 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' CYS . . . . . 0.466 ' CB ' ' HB2' ' A' ' 68' ' ' GLN . 26.7 p -93.4 -32.05 14.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.89 -179.945 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 90.95 41.53 5.27 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' CYS . . . . . . . . . . . . . 99.1 m -113.29 148.57 35.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.336 . . . . 0.0 110.884 -179.865 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' ASP . . . . . . . . . . . . . 4.1 m-20 -79.87 143.29 34.44 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.821 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' PHE . . . . . 0.429 ' CZ ' ' ND1' ' A' ' 62' ' ' HIS . 30.2 m-85 -144.86 145.13 31.46 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.9 -179.929 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -116.43 146.22 42.69 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 -179.763 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLY . . . . . 0.459 ' N ' ' O ' ' A' ' 37' ' ' GLN . . . 72.22 -176.59 40.85 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.469 -180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' GLU . . . . . . . . . . . . . 11.7 tt0 -54.97 -14.44 1.49 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.835 0.35 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ALA . . . . . . . . . . . . . . . -42.81 -56.68 3.11 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.152 179.898 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' TYR . . . . . . . . . . . . . 0.6 OUTLIER -42.0 -31.5 0.35 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.949 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' GLU . . . . . . . . . . . . . 48.7 mt-10 -72.56 -53.66 11.34 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.901 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' SER . . . . . . . . . . . . . 13.1 m -64.94 -11.83 42.78 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.909 -179.834 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' HIS . . . . . 0.429 ' ND1' ' CZ ' ' A' ' 54' ' ' PHE . 47.5 t60 -83.12 -9.67 59.08 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.885 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 10.1 tt0 -67.47 -25.33 65.83 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.93 -179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . -96.49 -31.26 7.22 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.692 -0.766 . . . . 0.0 112.485 -179.989 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' MET . . . . . . . . . . . . . 5.8 ttt -113.74 69.82 0.71 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.857 0.36 . . . . 0.0 110.914 179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' CYS . . . . . . . . . . . . . 14.3 t -107.97 138.64 20.14 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.641 0.734 . . . . 0.0 110.901 -179.933 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.8 -39.62 6.23 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.639 2.226 . . . . 0.0 112.336 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.466 ' HB2' ' CB ' ' A' ' 50' ' ' CYS . 6.4 mp0 -121.15 71.91 0.97 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.92 179.973 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' GLU . . . . . . . . . . . . . 13.2 tt0 -63.29 -28.12 69.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.923 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' SER . . . . . . . . . . . . . 58.8 m -42.87 156.72 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.871 -179.801 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 25.1 m -50.13 -52.6 33.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.854 -179.828 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 59.97 155.3 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.486 -179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' PRO . . . . . 0.421 ' O ' ' C ' ' A' ' 74' ' ' SER . 53.4 Cg_endo -69.7 -5.51 16.35 Favored 'Trans proline' 0 C--O 1.231 0.172 0 C-N-CA 122.688 2.258 . . . . 0.0 112.301 -179.921 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' SER . . . . . 0.421 ' C ' ' O ' ' A' ' 73' ' ' PRO . 3.0 p 36.04 48.49 0.53 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.879 -179.823 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' SER . . . . . . . . . . . . . 1.6 p -78.1 164.44 25.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.893 -179.819 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 CA-C-O 119.078 -0.846 . . . . 0.0 112.478 -179.972 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 201' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 401' ' ' ' ZN' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0 0 . 1 stop_ save_