data_2ys3_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 2ys3 _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 ' 8' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 9' ' ' PRO . 29.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.403 ' N ' HG23 ' A' ' 8' ' ' ILE . 53.3 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -129.24 146.56 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -101.12 143.28 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CD ' HG22 ' A' ' 34' ' ' VAL . 25.7 mmtm -134.43 106.93 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -172.61 139.8 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 17.6 t-80 -93.67 111.94 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.87 -174.9 4.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -82.09 115.88 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.97 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 46.4 t80 -134.12 132.71 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -134.27 88.75 29.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 tpt85 -131.58 129.85 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.44 123.14 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 44' ' ' LYS . 2.4 m-70 -140.36 170.02 16.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -109.92 121.62 45.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.5 t -117.72 150.3 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.433 HG22 ' CD ' ' A' ' 12' ' ' LYS . 69.2 t -146.85 124.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 22.8 t80 -97.31 125.91 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.4 tptm -111.55 157.65 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' LYS . 31.0 mt-10 -32.23 -68.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.62 18.82 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.16 166.23 22.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 tt -158.75 129.64 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -148.39 148.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.8 p90 -132.63 174.31 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.27 163.93 32.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 22.0 ptmt -78.97 -34.54 44.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 47' ' ' ASP . 35.6 t -153.38 132.55 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' SER . 3.5 tt0 -34.27 -34.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 45' ' ' SER . 30.3 m-20 -49.95 -59.89 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.9 mm-40 -37.88 -63.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -71.31 162.19 74.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.79 -1.82 6.87 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.289 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.9 -87.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.42 134.67 6.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.72 166.34 27.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -64.46 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -165.3 111.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -89.69 139.1 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.435 HD12 ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -140.28 147.21 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -88.95 101.31 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' GLY . 40.5 mt -45.08 -45.07 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 8.0 tmtm? -51.04 92.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 131.08 -34.17 2.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.67 174.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.77 146.63 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.8 t -132.78 110.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.1 t -108.69 120.68 45.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -129.87 46.96 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.462 HG13 ' CZ ' ' A' ' 100' ' ' TYR . 1.9 m -94.57 144.59 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -134.17 90.69 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' SER . 90.9 t -46.35 -32.25 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' VAL . 3.4 m -38.29 -38.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.08 44.73 1.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 38.25 45.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -109.4 146.33 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.46 105.05 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.68 155.09 26.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt -133.42 110.96 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -88.34 107.15 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -97.52 110.9 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HG ' ' CE ' ' A' ' 87' ' ' MET . 3.2 tp -102.33 116.26 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 57' ' ' LEU . 27.1 t -126.02 133.56 25.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.84 43.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m -131.31 147.69 67.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.72 12.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -115.57 -30.33 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.06 -92.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.457 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 28.7 mmm -155.44 171.53 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -134.76 73.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -94.24 111.22 22.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.0 133.26 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -100.41 117.01 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.24 115.87 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -109.64 129.23 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -97.24 148.76 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.18 -41.75 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -134.11 -176.33 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -75.73 -28.47 58.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.442 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 35.5 mm-40 -55.86 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.04 -33.73 67.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.462 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 38.0 t80 -64.75 -64.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.24 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -60.33 -66.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 45.9 m95 -57.22 -65.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.5 tpp -38.31 -63.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.83 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.19 93.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -61.22 -48.83 79.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -57.36 -46.63 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.52 -37.56 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.39 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -59.22 -40.58 86.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -84.69 8.77 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.457 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 92.33 -31.69 5.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.86 174.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.8 p -141.64 157.39 45.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.1 ttp -53.58 -32.81 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.1 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.27 155.96 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -38.31 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 m -41.75 -33.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 22.7 t80 -38.91 -63.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -59.43 -31.91 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 t -58.57 -24.49 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -87.01 -47.06 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.39 -40.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.79 -65.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.53 -40.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.1 mt -67.2 -66.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.7 mt -34.9 -45.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -56.97 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 58.4 t80 -39.43 -50.91 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.84 -50.01 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -54.43 -41.88 69.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 75.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.635 0.731 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.76 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -120.33 137.7 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.25 140.3 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.7 mmmm -129.56 106.35 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.71 139.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.5 t-80 -96.16 111.9 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -87.84 -174.76 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 23.4 ttt180 -82.07 115.73 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 97.1 mt -120.37 142.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 1.9 t80 -159.69 134.7 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -127.92 112.73 20.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 91.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.895 0.378 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 45.2 ttt180 -144.83 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 39.1 tt0 -75.11 97.55 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.9 m170 -122.01 168.93 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -115.27 122.54 46.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -114.36 144.32 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -137.28 121.87 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.1 t80 -95.44 129.38 42.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 37' ' ' GLU . 35.7 tptt -115.71 157.3 24.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt-10 -33.13 -71.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.37 19.37 13.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.16 171.48 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -161.0 134.2 6.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -139.05 165.03 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -158.56 156.63 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -136.45 168.45 19.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' N ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -83.54 -22.46 32.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 7.6 m -143.02 130.58 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -55.17 -46.1 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -55.22 -44.82 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 55.5 mm-40 -51.18 -50.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -66.66 155.19 89.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.77 -49.44 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.383 0.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.11 -98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -139.01 121.94 10.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 131.21 20.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.444 HD11 ' N ' ' A' ' 44' ' ' LYS . 73.0 mt -43.39 -51.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -159.11 118.87 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -86.58 134.33 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.86 124.43 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LYS . 55.1 t30 -83.0 94.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 17.9 mt -36.4 -33.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' ASN . 18.7 tttm -62.17 117.37 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 -23.54 35.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 m -67.48 -176.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -118.48 135.76 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.83 132.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.55 135.9 19.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.35 34.4 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 27.4 m -87.63 145.48 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -133.06 98.44 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.65 -41.93 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -29.15 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.05 25.66 8.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 42.09 37.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 20.4 ttmm -113.59 149.73 34.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 13.8 m-85 -147.81 114.07 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.3 t -134.53 151.55 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.1 mt -121.11 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -69.59 117.76 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.36 112.26 22.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -119.1 111.2 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 22.0 t -109.54 109.91 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.73 133.15 24.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m -146.95 153.67 46.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.74 37.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.57 -24.46 42.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.9 -100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.41 124.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 m -99.91 106.31 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.78 122.64 39.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.37 122.53 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -111.0 120.58 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.4 mt -113.8 114.34 26.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -111.86 123.84 51.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.2 m -95.3 170.33 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -81.11 -59.11 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -117.88 178.61 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.533 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 14.3 pt-20 -73.8 -33.11 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -49.21 -49.92 40.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.64 -45.73 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.481 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -49.99 -46.03 52.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.85 80.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -51.63 -66.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.5 m95 -57.82 -46.51 84.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.7 tpp -46.08 -70.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.41 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.99 -47.08 89.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.5 m -62.55 -46.82 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -61.48 -53.08 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 114' ' ' ARG . 19.1 mt -47.88 -36.18 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.81 -40.93 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.2 t -43.47 -41.86 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -92.72 -24.58 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.56 -31.9 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' LEU . 38.1 mtt85 -48.59 155.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -120.54 155.9 32.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.529 ' CG ' ' CD1' ' A' ' 121' ' ' TYR . 7.3 ttm -55.68 -38.84 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.27 3.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.18 139.04 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m -58.66 -28.41 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 m -57.12 -21.41 32.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.529 ' CD1' ' CG ' ' A' ' 116' ' ' MET . 7.2 t80 -50.15 -47.11 54.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -71.49 -37.39 71.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 m -50.84 -38.48 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -35.39 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.3 t -62.67 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -64.56 -60.68 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.44 -41.48 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.81 -67.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.65 -37.66 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.4 -54.14 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -54.58 -46.82 73.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.31 -42.82 64.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -61.74 -37.95 86.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.421 HG22 ' CD ' ' A' ' 37' ' ' GLU . 23.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.657 0.741 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -132.15 141.04 48.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -101.03 140.28 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -128.77 105.32 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.7 m-20 -175.7 154.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.2 t-80 -108.38 112.73 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.0 -174.71 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 117.51 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 48.3 mt -119.79 134.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 36.0 t80 -141.45 135.66 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -131.31 87.54 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.568 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 94.7 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -143.53 173.11 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -77.72 90.37 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 13.6 m170 -114.33 170.43 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -117.5 140.24 49.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.65 151.45 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.0 t -148.18 124.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 37.5 t80 -95.42 136.45 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.8 tptm -118.79 157.53 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 26.6 mt-10 -32.13 -71.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -119.28 22.67 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.1 166.02 25.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 tt -153.76 128.22 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -139.8 147.1 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 6.0 p90 -135.33 175.38 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -147.5 147.21 29.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 54' ' ' ILE . 34.3 ttmt -54.96 -26.85 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.6 m -168.71 135.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' SER . 6.7 tm0? -34.09 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' SER . 9.1 m-20 -51.23 -53.34 36.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' ASP . 7.5 mm-40 -36.3 -60.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' ' N ' ' A' ' 51' ' ' GLY . . . -74.84 167.04 40.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.6 Cg_endo -69.74 -2.12 6.96 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.366 -0.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -30.19 -88.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -159.42 140.06 9.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.4 Cg_endo -69.78 148.39 64.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 44' ' ' LYS . 69.0 mt -51.66 -43.4 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -160.75 133.74 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -111.06 127.91 55.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 57' ' ' LEU . 2.1 mp -133.1 168.97 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -110.25 102.56 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.416 HD11 ' CB ' ' A' ' 110' ' ' ALA . 63.5 mt -40.9 -32.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -53.05 115.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.67 -1.69 60.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.28 175.53 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -109.86 126.31 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.42 111.46 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.29 100.24 42.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.19 10.84 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.15 37.89 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 75' ' ' PHE . 3.5 p -87.92 127.6 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -121.39 77.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -40.58 -32.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 p -42.53 -45.3 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.71 14.04 29.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 59.37 48.2 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -123.96 107.97 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 3.1 m-85 -104.73 115.34 30.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 t -127.92 162.32 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.5 105.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -76.11 118.67 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp -103.18 108.75 20.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CE ' ' A' ' 87' ' ' MET . 5.8 tp -115.74 115.47 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.73 118.11 26.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.91 38.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.418 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 3.8 m -130.47 148.07 68.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.25 13.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -127.91 -31.95 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.418 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 175.44 95.01 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 22.5 ptm -41.94 164.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -124.44 139.92 53.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 80' ' ' LEU . 38.4 tt0 -129.15 111.33 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.62 149.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -115.9 127.23 54.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.76 125.22 50.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -119.1 105.88 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -78.74 161.39 26.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -89.82 -40.37 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.83 164.43 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 15.8 pt-20 -60.85 -32.64 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.66 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -58.23 -40.06 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -51.64 -59.26 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.79 -59.32 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -38.93 -63.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.3 m95 -63.75 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 9.1 tpp -38.17 -66.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.67 -40.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.82 -48.26 78.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.6 m -59.5 -41.28 89.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.7 -48.9 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -65.41 -32.66 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -47.22 -48.3 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -89.25 -18.33 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . 127.35 -29.57 4.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -53.49 162.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.5 p -139.21 158.67 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.8 mtm -47.46 -32.66 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.42 -34.05 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -71.88 127.2 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 t -48.53 -29.54 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.9 p -51.17 -32.27 22.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -39.51 -69.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -48.67 -33.53 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -56.01 -32.29 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.35 -52.85 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.7 t -46.77 -38.14 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -74.6 -64.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.3 -40.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' LEU . 56.2 mt -64.75 -64.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.4 mt -36.07 -45.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.41 -57.63 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -39.93 -53.57 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.96 -44.56 64.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -56.1 -42.73 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -136.71 137.3 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -93.5 132.12 38.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 30.0 mmtm -120.6 107.16 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 15.9 m-20 -171.94 138.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t-80 -100.22 114.4 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.99 -174.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -81.97 115.67 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.71 131.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 44.0 t80 -148.53 132.92 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -131.64 95.04 24.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -125.18 167.98 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -86.2 87.44 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 25.8 m170 -107.84 169.63 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 64.6 t-105 -115.86 121.53 42.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 t -112.68 142.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -135.6 121.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.5 t80 -95.19 128.12 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -112.89 157.43 21.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 36' ' ' LYS . 4.8 mm-40 -32.49 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.75 23.17 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -140.03 169.53 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -156.46 139.74 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -145.55 160.49 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.9 153.49 38.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 m-85 -134.96 168.66 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -85.78 -37.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 t -139.29 122.56 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.505 ' HG3' ' CG ' ' A' ' 32' ' ' TRP . 5.8 mp0 -42.46 -26.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.02 -42.35 85.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.5 pt-20 -63.1 -18.69 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -96.16 149.18 35.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.76 -48.49 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.323 0.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.01 -98.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -146.13 122.67 5.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.565 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.5 Cg_endo -69.77 145.82 58.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -47.9 -45.05 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -173.87 105.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 55' ' ' GLN . 15.4 pt20 -67.0 145.59 55.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -128.44 157.88 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -116.64 93.84 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 110' ' ' ALA . 11.9 mt -37.46 -42.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -56.51 105.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 -19.89 12.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.89 -176.07 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.21 157.96 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -128.11 124.39 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.95 94.92 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.68 13.56 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.02 15.19 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 65.2 t -48.16 124.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 35.3 m-20 -126.18 72.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' ASN . 90.0 t -36.06 -38.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -38.89 -52.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.75 43.29 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLY . 58.8 mm-40 36.9 54.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -114.18 132.6 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -135.54 112.75 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -132.3 156.03 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt -127.39 99.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -71.89 122.5 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.34 109.77 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 80' ' ' LEU . 4.3 mm? -112.04 109.24 18.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -116.5 121.26 33.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 140.21 41.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -150.36 153.37 34.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.59 -44.96 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.79 -79.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.9 tpt -172.44 129.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -107.21 94.99 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.02 116.06 31.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.6 138.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -108.37 125.15 51.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.6 mt -123.94 114.19 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -109.26 127.17 54.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.09 167.9 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -85.89 -51.62 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -127.86 157.84 39.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.15 -28.95 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.94 -49.31 73.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -73.1 -41.51 63.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.42 -49.56 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.78 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -50.55 -63.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.5 m95 -60.91 -62.15 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' TRP . 20.3 tpp -36.29 -68.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.76 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -52.69 45.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.83 -43.61 94.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.22 -36.62 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 121' ' ' TYR . 19.6 mt -67.31 -41.37 85.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.431 ' CB ' HD13 ' A' ' 59' ' ' LEU . . . -75.14 -24.64 58.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -56.85 -39.77 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -103.59 -2.26 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 118.69 -45.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -40.43 153.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 166.95 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttm -56.45 -34.02 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.88 46.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.61 150.6 48.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -69.28 -23.67 63.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -60.39 -21.97 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.41 ' HA ' ' CD1' ' A' ' 109' ' ' LEU . 14.6 t80 -50.69 -57.33 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -51.31 -35.35 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.34 -48.4 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.66 -39.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.72 -56.08 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.39 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.7 -66.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 mp -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.38 -65.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' ALA . 57.4 t80 -37.48 -47.97 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.35 -48.56 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.69 -39.13 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.969 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.4 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 109.87 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.85 144.83 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 141.68 35.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -129.7 109.24 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -174.0 142.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.9 t-80 -95.02 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 103' ' ' TRP . 37.1 mt -87.92 -174.88 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 8.1 ttt85 -82.06 115.64 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -122.1 129.05 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 10.4 t80 -142.45 131.89 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 5.9 mmm180 -125.6 102.43 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 16' ' ' ARG . 47.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.83 0.348 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -125.83 159.35 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -80.27 108.33 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 14.3 m-70 -132.61 169.9 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -109.13 125.6 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.55 149.27 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.6 t -146.57 123.99 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 38.0 t80 -95.23 131.96 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 37' ' ' GLU . 26.7 tptp -114.94 157.55 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' LYS . 6.4 mm-40 -31.57 -70.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.96 22.37 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.39 165.9 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 40' ' ' LEU . 5.0 tt -152.74 126.38 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 53.8 m -136.77 170.52 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -160.97 157.79 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -131.56 164.72 25.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE2' ' CD ' ' A' ' 48' ' ' GLU . 11.0 pttm -76.55 -28.36 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -48.56 -44.56 36.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -55.21 8.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 11.0 mt-10 -38.6 -60.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.524 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.21 155.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.84 -51.04 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.338 0.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.32 -107.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -139.93 131.93 14.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.73 137.07 34.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -49.03 -50.57 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -155.42 108.14 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -86.71 120.47 28.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -86.05 177.32 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 60' ' ' LYS . 22.7 t30 -132.0 74.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.1 mt -42.27 -24.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -68.06 90.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.62 -30.27 6.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.4 p -51.97 -175.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.97 158.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.8 t -134.42 124.38 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.0 94.71 30.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.76 21.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.66 37.15 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.521 HG12 ' CE1' ' A' ' 100' ' ' TYR . 2.9 m -78.06 140.07 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -128.55 94.78 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.0 t -47.65 -38.55 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -40.9 -59.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.88 37.2 3.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 39.36 39.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 93' ' ' ARG . 24.8 ttmt -97.46 148.68 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -154.92 107.89 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.38 130.56 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 79' ' ' LEU . 17.4 mt -106.94 121.96 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -87.98 124.64 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 77' ' ' ILE . 9.6 mp -113.81 114.36 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.85 114.43 19.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.33 125.85 27.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.88 26.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -139.49 150.19 62.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.74 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.55 10.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.57 -41.43 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.03 -114.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.4 tpt -144.07 120.98 11.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -92.54 84.73 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -94.9 111.64 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.0 mt -119.68 137.74 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -110.0 129.88 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.2 mt -125.48 114.11 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 11.1 tpt180 -110.63 125.23 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.4 m -95.63 168.65 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -87.56 -57.97 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -122.16 165.35 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 19.4 pt-20 -62.6 -31.1 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -50.98 -46.77 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -75.94 -45.46 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.521 ' CE1' HG12 ' A' ' 68' ' ' VAL . 15.6 t80 -50.1 -60.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.55 -49.93 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -54.16 -64.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.8 m95 -59.62 -63.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 6.6 tpp -34.84 -67.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.91 -40.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -62.93 -44.08 97.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.0 m -65.45 -48.06 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -54.75 -40.64 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.1 -56.28 16.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -27.96 69.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -59.79 -29.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -103.57 -5.88 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.33 -35.72 4.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -60.93 146.2 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.3 p -93.72 178.38 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 20.1 ttp -84.61 -26.4 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.8 -23.38 17.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.2 154.65 41.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 m -64.47 -39.52 93.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.3 m -44.75 -32.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 39.6 t80 -43.4 -67.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 t -49.55 -32.98 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 -32.18 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.95 -47.03 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.22 -38.84 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -74.28 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.89 -41.37 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.2 mt -64.03 -66.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.9 mt -36.04 -48.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.39 -61.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 130' ' ' ALA . 60.9 t80 -34.77 -50.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.5 mt -50.61 -53.96 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -57.77 -46.97 83.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.973 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 79.6 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.648 0.737 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 8' ' ' ILE . 54.4 Cg_endo -69.71 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -118.18 154.03 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mt -110.23 138.23 46.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 37.5 mmtm -128.82 108.9 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 28.7 m-20 -174.38 141.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.6 t-80 -99.51 113.45 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.84 -174.96 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 24.0 mtt85 -82.09 116.05 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -118.44 120.49 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -143.62 139.69 29.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -129.36 133.43 25.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 24.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -79.02 173.97 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -87.27 100.74 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.6 m-70 -125.29 170.09 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -112.85 125.6 54.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 34' ' ' VAL . 28.7 t -119.2 146.35 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.416 ' N ' HG13 ' A' ' 33' ' ' VAL . 90.3 t -139.62 119.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.3 t80 -95.25 134.54 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -118.32 157.68 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.6 mt-10 -31.11 -71.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 115' ' ' THR . 1.1 p -120.47 23.05 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 m -139.44 167.3 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -149.54 137.44 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -140.56 131.66 26.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.589 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -130.31 142.22 50.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -118.36 174.64 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.463 ' N ' HD13 ' A' ' 54' ' ' ILE . 47.9 mttp -78.82 -45.03 21.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.7 m -144.98 132.38 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ASP . 29.5 tt0 -40.98 -56.85 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -35.58 -54.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -39.76 -56.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.537 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -43.77 147.28 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.7 -44.57 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.359 -0.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 36.09 -102.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -160.73 136.69 6.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.649 0.737 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 44' ' ' LYS . 55.4 mt -42.94 -52.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.589 ' OE1' ' CE1' ' A' ' 42' ' ' TYR . 2.2 pt20 -144.46 137.54 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -117.87 105.3 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 81' ' ' VAL . 2.5 mt -116.52 163.36 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 49.5 t30 -107.13 96.71 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ASN . 27.9 mt -34.69 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 19.0 ttpt -60.57 102.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.81 -39.0 2.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -57.83 178.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -107.28 164.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.22 123.03 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 50.2 t -128.58 95.9 31.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 106.0 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.57 35.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG22 ' CZ ' ' A' ' 100' ' ' TYR . 98.5 t -66.63 129.09 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -131.27 87.32 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' SER . 76.4 t -51.1 -37.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' VAL . 10.8 t -35.12 -43.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -126.98 44.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' GLY . 79.1 mm-40 36.71 51.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -107.71 146.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -153.26 105.35 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.06 145.52 51.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -114.94 94.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 14.4 tttp -70.8 101.94 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -96.08 128.33 42.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 78' ' ' LYS . 4.2 mm? -121.18 113.78 20.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 57' ' ' LEU . 15.4 t -127.44 116.38 21.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 150.68 68.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -143.48 155.45 60.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -99.8 -38.73 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.62 -106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.6 tpt -150.79 139.07 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 t -112.05 101.37 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.77 116.44 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.3 132.37 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -104.84 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.8 129.67 45.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -126.24 106.23 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.15 152.14 38.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 9.1 pt20 -62.62 -39.45 93.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 24.3 p30 -142.88 -178.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.93 -27.47 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -53.05 -60.8 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.01 -39.29 94.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 6.8 t80 -50.49 -51.92 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.96 -62.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -40.21 -61.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 40.5 m95 -61.42 -62.85 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.2 tpp -40.15 -68.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.54 -42.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.91 61.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.83 -48.45 78.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -56.3 -52.64 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ARG . 8.8 mt -51.66 -43.12 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.25 70.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.0 t -38.29 -40.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -99.38 -34.3 10.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.9 -37.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' LEU . 85.5 mtt180 -45.33 162.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.467 ' CG2' HG21 ' A' ' 38' ' ' THR . 76.7 p -145.02 160.78 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.53 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 27.5 mtm -49.01 -37.46 20.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.07 -39.39 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.32 155.01 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.7 p -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -46.08 -24.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 11.8 t80 -54.71 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 123' ' ' SER . 14.8 t -61.47 -31.36 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.444 ' N ' HG21 ' A' ' 122' ' ' THR . 2.4 m -57.8 -34.07 69.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -47.62 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.17 -43.07 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -65.09 -57.81 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.04 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.66 -59.29 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 mt -42.49 -53.02 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.24 -60.69 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ALA . 56.3 t80 -35.04 -48.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.98 -53.4 58.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -48.77 -39.55 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.613 0.72 . . . . 0.0 111.127 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 109.85 2.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 43.6 mt-10 -126.8 143.74 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.6 136.21 41.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.7 mmtm -122.19 107.84 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.7 m-20 -172.48 141.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.4 t-80 -99.79 113.21 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.85 -174.86 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -82.06 115.69 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.8 mt -117.8 119.91 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -133.88 132.05 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.01 108.99 18.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 74.3 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -124.72 165.38 18.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -83.39 113.49 20.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 95.8 m-70 -135.43 168.56 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.33 122.17 45.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.2 t -118.04 142.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.66 122.93 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 25.6 t80 -95.18 117.43 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 17.5 tptm -100.94 157.44 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 28.0 mt-10 -32.99 -70.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.72 20.84 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.15 169.04 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -160.89 131.93 5.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -148.77 157.28 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.5 p90 -138.52 164.45 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -140.51 171.03 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -64.28 -50.71 66.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -147.03 162.18 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -49.76 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -55.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.65 -60.61 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.41 151.54 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -44.23 0.53 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.299 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.23 -110.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -142.58 134.68 13.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.14 53.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.79 -40.3 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -165.6 113.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.63 142.57 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -143.79 131.57 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LYS . 29.4 t30 -78.77 104.48 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -41.09 -27.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 7.3 mmtp -53.13 124.07 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.61 -31.13 4.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 p -47.48 171.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -113.02 145.81 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -129.96 105.72 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 13.8 t -114.02 96.06 40.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.653 0.74 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.226 . . . . 0.0 112.351 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.66 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.96 115.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' SER . 33.5 t30 -124.58 64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -37.43 -30.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 9.3 t -44.46 -54.38 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -114.84 47.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLY . 98.8 mm-40 35.04 46.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 56.8 tttt -107.75 151.85 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 16.6 m-85 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.08 157.18 45.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.423 HG21 ' CD1' ' A' ' 79' ' ' LEU . 24.8 mt -130.61 101.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -70.69 118.68 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . 0.423 ' CD1' HG21 ' A' ' 77' ' ' ILE . 9.8 mp -108.71 124.13 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.64 123.31 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.38 102.69 16.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.678 0.751 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.52 30.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m -143.45 160.47 51.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.82 37.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -81.53 -44.18 17.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.57 -117.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.1 tpt -151.06 127.03 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -110.22 95.89 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.57 113.32 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.04 145.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -112.77 122.19 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.1 mt -117.78 116.4 26.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -111.26 105.47 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.7 160.16 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -83.08 -49.06 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.19 163.13 27.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.66 -29.18 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -53.73 -59.05 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -63.62 -40.8 97.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -54.31 -62.11 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.37 -52.69 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -50.72 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 38.5 m95 -55.68 -64.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 103' ' ' TRP . 26.8 tpp -35.41 -69.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -61.43 -51.82 55.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.01 -50.4 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' CD ' ' SD ' ' A' ' 104' ' ' MET . 42.8 mtp85 -53.78 -39.91 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.96 -46.54 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -66.59 -38.05 86.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -102.39 10.52 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.61 -32.49 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -51.4 149.24 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.6 p -120.56 -178.95 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.6 mtm -76.44 -26.06 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.07 -29.62 44.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.08 159.79 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 m -81.21 -10.53 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 t -73.53 -19.97 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -53.3 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.9 t -50.29 -30.79 12.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -30.0 61.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -41.88 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.43 -39.52 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -69.08 -52.55 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.34 -38.47 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.38 -52.97 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.9 mt -52.58 -42.0 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -73.21 -60.13 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 130' ' ' ALA . 80.1 t80 -36.9 -54.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.3 mt -52.43 -46.35 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -56.79 -40.48 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.8 mm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.59 0.71 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.76 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -117.99 147.02 43.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.68 133.5 47.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.4 mmmm -118.48 109.04 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.9 m-20 -175.11 142.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.6 t-80 -101.71 112.2 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.96 -175.31 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.97 115.75 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.86 123.94 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 6.4 t80 -141.47 134.64 29.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.61 105.0 4.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 55.7 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.4 ttm-85 -118.1 156.2 29.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 2.6 tt0 -65.27 113.79 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 84.9 m-70 -138.83 169.81 17.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -112.57 127.4 56.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.92 143.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -141.1 123.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.21 122.45 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.9 tptm -105.79 157.49 17.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.0 mt-10 -32.76 -67.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -122.7 18.93 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 168.41 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tt -161.14 131.56 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 49.8 m -149.6 157.36 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -139.65 166.18 25.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -137.45 169.25 18.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -68.08 -56.34 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -128.64 142.89 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -47.03 -44.92 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 t0 -51.45 -59.52 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ASP . 28.5 mt-10 -34.81 -57.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.66 151.21 8.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.77 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.347 0.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.33 -103.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -146.54 125.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.7 129.37 17.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' PRO . 58.6 mt -36.57 -40.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.0 136.22 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -111.99 142.79 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.1 134.83 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 29.0 t30 -84.74 95.53 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 110' ' ' ALA . 21.6 mt -38.04 -45.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -52.13 111.76 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.34 -29.5 8.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 m -67.82 -176.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -119.75 159.52 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -132.6 130.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 60.5 t -132.21 99.84 15.93 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.1 Cg_endo -69.71 129.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.69 33.33 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.51 125.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 5.6 m-20 -117.45 79.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 132' ' ' LEU . 71.9 t -40.62 -25.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.5 t -53.27 -45.66 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.01 23.35 27.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 49.79 47.33 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -125.8 118.58 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -118.46 121.64 40.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -128.5 103.53 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -84.2 103.69 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.61 139.49 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 78' ' ' LYS . 32.5 mt -128.77 101.77 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 82' ' ' PRO . 92.3 t -107.24 138.53 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.73 150.2 68.06 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -143.9 159.9 51.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.33 32.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -124.75 11.96 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.9 -98.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.8 ptm -173.14 158.75 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -107.72 108.11 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.83 111.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.8 mt -114.94 128.47 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.0 113.21 26.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -111.3 120.35 41.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.37 123.91 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.12 177.87 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -96.59 -42.55 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.94 175.73 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -52.23 -55.0 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.9 -43.18 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -49.94 -59.44 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.61 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -42.36 -67.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.9 m95 -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.6 tpp -36.73 -63.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.19 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.05 -47.0 91.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -47.37 77.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -59.29 -44.39 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.89 -45.12 90.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -70.02 -29.07 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -37.99 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.06 -17.07 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.89 -37.81 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -50.06 158.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.1 p -133.44 161.48 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.505 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 63.2 mtm -52.73 -39.56 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.22 -26.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.58 148.97 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -64.71 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.4 t -44.8 -24.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 27.0 t80 -50.4 -65.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 123' ' ' SER . 2.4 t -50.53 -30.39 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.43 ' N ' HG21 ' A' ' 122' ' ' THR . 1.6 t -55.72 -30.01 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -48.78 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.11 -43.65 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -68.2 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.42 -45.36 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.09 -59.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.7 mt -41.18 -46.68 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.65 -61.14 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -38.51 -50.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 70' ' ' VAL . 46.5 mt -47.82 -47.68 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.6 t -53.31 -46.0 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.2 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.67 0.747 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -134.31 147.52 50.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 136.3 43.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.2 mmmt -121.01 108.95 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -173.74 142.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.8 t-80 -99.11 113.51 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.94 -174.76 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -81.99 115.7 21.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mt -115.8 124.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 19.7 t80 -128.29 132.14 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -127.35 94.14 39.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.383 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 97.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -135.17 163.38 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -85.63 98.35 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 11.0 m-70 -122.74 170.23 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -109.09 140.4 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.16 140.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.66 125.94 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 13.8 t80 -98.8 120.52 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 15.8 tptm -107.59 157.68 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 40.7 mt-10 -32.18 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.38 24.47 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.93 162.41 35.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -154.38 138.23 16.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 158.74 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -141.14 143.89 34.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 2.4 m-85 -123.88 172.6 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -89.93 -37.47 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -142.78 129.98 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -48.34 -23.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.21 -35.46 76.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 pt-20 -71.51 -16.83 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -98.29 151.68 37.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.78 -49.46 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.309 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.93 -107.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -139.35 123.01 10.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.74 151.56 69.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.43 -44.66 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -163.76 105.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -80.23 143.79 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 146.81 37.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -104.3 106.87 17.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 mt -48.14 -24.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -66.55 104.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.94 24.52 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.8 p -112.23 179.31 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.07 153.17 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.2 t -142.15 120.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -123.96 98.79 38.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 110.6 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.87 35.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.64 123.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -127.1 88.12 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.81 -40.36 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -42.44 -36.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -124.14 37.81 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.0 mm-40 35.06 38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -94.43 141.51 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -144.61 109.17 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.81 154.06 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.69 90.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.77 106.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -99.14 120.38 39.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.415 HD23 ' CG ' ' A' ' 89' ' ' GLU . 9.2 mt -128.75 98.07 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -100.28 134.05 21.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 142.28 47.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 m -134.47 140.97 37.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -120.7 -15.75 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.92 -128.51 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttm -151.04 150.37 30.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -119.67 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' HD23 ' A' ' 80' ' ' LEU . 18.4 tt0 -93.89 113.15 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 91' ' ' TYR . 64.1 mt -121.11 143.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.456 ' N ' HG23 ' A' ' 90' ' ' ILE . 61.4 m-85 -112.42 121.63 45.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.87 114.14 26.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -112.72 107.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.0 m -79.15 -177.68 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -89.01 -55.19 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.6 169.65 16.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 20.3 pt-20 -59.02 -31.7 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -48.73 -56.87 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.75 -36.27 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 104' ' ' MET . 60.2 t80 -55.69 -55.11 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.62 -56.89 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -48.88 -67.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 43.1 m95 -54.6 -65.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 1.9 tpp -36.93 -70.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.42 -33.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -71.18 -53.14 11.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.3 m -55.77 -38.04 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -66.98 -49.33 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.06 -43.02 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.08 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 t -48.9 -46.22 42.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -90.51 -26.95 19.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.78 2.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.23 155.72 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -134.31 171.48 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.1 mtm -50.18 -32.97 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.48 -36.54 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.22 138.71 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -65.56 -20.08 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -66.46 -19.83 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.58 -58.17 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 123' ' ' SER . 1.8 t -59.79 -27.41 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 122' ' ' THR . 1.5 t -61.41 -31.1 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.26 -42.56 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.72 -41.9 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.1 -57.55 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.18 -39.71 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LEU . 60.9 mt -66.01 -64.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.6 mt -35.53 -47.63 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.64 -58.18 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.25 -50.39 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.9 mt -51.93 -46.67 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.08 -46.39 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.591 0.71 . . . . 0.0 111.144 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -129.21 142.73 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.4 mtmt -137.73 115.17 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -172.67 138.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -91.3 110.9 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.86 -174.79 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -81.95 115.65 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.5 mt -119.78 127.71 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -144.34 133.25 22.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -128.13 90.84 46.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -133.72 159.61 40.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -91.08 106.6 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -125.48 169.95 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.57 121.52 43.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.3 t -117.14 141.04 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.01 123.76 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.17 127.38 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.3 tptm -116.02 158.0 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 36' ' ' LYS . 14.9 mt-10 -29.32 -71.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.1 24.5 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.7 155.8 49.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -150.39 129.12 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -149.79 160.17 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.542 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 p90 -137.41 175.85 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 2.7 m-85 -145.91 174.49 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 19.1 mttt -92.93 -35.93 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.9 p -146.45 127.56 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -43.27 -23.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' SER . 20.0 m-20 -68.21 -45.11 74.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.408 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.1 pt-20 -60.77 -24.56 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -89.44 148.0 39.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.552 0.691 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.88 -51.07 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.321 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.38 -101.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -142.16 123.58 8.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.496 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.1 Cg_endo -69.77 139.38 40.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 44' ' ' LYS . 93.0 mt -43.66 -43.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -166.42 134.12 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -109.74 139.34 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -139.26 133.65 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -89.35 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 mt -42.79 -32.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.89 95.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.58 -23.22 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 p -72.6 164.06 27.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.15 164.68 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.91 114.57 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.3 t -124.64 100.03 35.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.3 Cg_endo -69.75 147.29 62.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.81 19.14 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -50.96 114.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' VAL . 2.2 t-20 -124.67 74.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.2 t -37.56 -38.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' VAL . 41.0 t -34.81 -53.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -122.48 48.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' GLY . 12.9 mm-40 34.87 39.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.75 135.13 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -145.44 112.29 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.2 t -137.54 146.62 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.46 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -84.32 100.03 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tp -88.22 142.23 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -133.49 114.18 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.0 t -122.96 102.89 37.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.47 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -145.16 159.67 48.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.46 8.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.95 -39.08 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.89 -103.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.51 128.94 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 m -112.24 80.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.57 117.52 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.46 144.83 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -107.46 129.47 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.2 114.18 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -111.71 126.1 54.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.5 m -95.24 153.24 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.21 -53.66 34.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.76 174.28 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -69.24 -28.75 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.44 ' N ' ' OE2' ' A' ' 97' ' ' GLU . 22.8 mm-40 -55.97 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -54.26 -40.98 68.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.39 -48.89 77.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.43 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -51.35 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' MET . 41.4 m95 -54.37 -64.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 23.7 tpp -36.38 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 124' ' ' GLU . . . -44.33 -39.78 4.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -59.36 -55.54 30.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.5 m -58.89 -30.77 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -69.95 -42.48 73.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.66 -55.97 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.42 -27.25 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -57.29 -33.97 68.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -105.82 -2.04 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.93 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.9 150.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.6 p -125.72 160.25 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' ALA . 8.0 ttm -42.54 -43.96 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' MET . . . -36.3 -36.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.79 136.73 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.0 t -58.27 -34.4 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' TYR . 3.6 m -48.42 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' SER . 23.8 t80 -38.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 123' ' ' SER . 2.4 t -56.65 -33.02 65.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 122' ' ' THR . 3.9 t -54.91 -32.38 61.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 105' ' ' ALA . 30.5 mm-40 -78.44 -44.5 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.2 t -52.86 -43.54 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -69.05 -57.31 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.71 -40.09 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.36 -56.0 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 129' ' ' LEU . 1.6 mp -50.45 -36.65 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.49 -64.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -42.2 -43.99 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.98 -48.63 75.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t -61.14 -35.45 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.607 0.718 . . . . 0.0 111.106 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 114.58 3.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.315 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -129.29 154.3 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.99 145.48 33.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 45.6 mmtt -131.24 105.94 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.9 m-20 -173.28 142.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.2 t-80 -103.78 113.74 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.21 -175.27 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -82.26 115.77 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -116.08 120.77 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 51.6 t80 -122.82 133.0 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -132.98 91.0 30.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.568 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -138.58 145.63 40.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.1 87.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 23.6 m170 -109.27 164.62 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -111.51 123.27 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 t -117.14 151.44 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.3 t -147.23 122.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.6 t80 -95.24 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.2 tptt -98.15 157.38 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.6 mm-40 -33.16 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 p -116.44 22.34 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 169.22 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -159.49 134.56 8.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -149.08 148.25 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -132.43 165.35 24.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 1.1 m-85 -142.41 169.4 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -79.13 -37.68 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 m -136.07 138.48 42.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.62 -43.87 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.46 -53.23 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.93 -63.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -48.28 152.81 1.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.76 -45.75 0.4 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.3 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.53 -99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.3 122.88 18.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.453 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.77 117.96 5.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' PRO . 86.8 mt -34.48 -47.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -161.98 107.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -86.6 141.05 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -143.11 132.07 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -80.26 93.19 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.2 mt -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -66.86 97.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.66 6.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -75.57 -175.68 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.83 157.21 20.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.8 t -136.04 129.31 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 21.6 t -134.52 99.91 12.76 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.78 127.34 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -121.01 78.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.19 123.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.3 t-20 -120.24 73.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' SER . 85.8 t -36.65 -42.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' VAL . 4.6 m -36.17 -47.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -125.06 42.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' GLY . 21.7 mm100 36.6 48.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.385 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -97.48 117.21 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 45.6 m-85 -126.71 93.33 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.0 m -121.46 145.9 47.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.09 107.66 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 35.7 tttp -81.98 106.43 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -97.63 131.08 44.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 78' ' ' LYS . 4.1 mm? -126.24 109.75 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.18 121.49 29.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.38 32.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.379 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -141.26 144.21 33.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -88.59 -24.43 22.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.68 -107.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.42 ' CE ' HD13 ' A' ' 80' ' ' LEU . 8.8 tpt -149.68 139.93 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -116.52 84.21 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -99.36 111.39 23.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 92' ' ' LEU . 3.5 mp -110.35 143.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.63 112.86 20.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 90' ' ' ILE . 3.9 mt -109.03 119.59 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -111.26 113.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.9 166.98 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -87.86 -50.77 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.81 159.01 37.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 14.4 pt-20 -58.51 -31.2 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -52.08 -49.02 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -74.13 -45.56 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -50.53 -47.68 57.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -57.9 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -47.23 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 52.8 m95 -53.16 -66.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' TRP . 5.2 tpp -37.57 -71.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.84 -40.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.47 74.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.95 -34.4 71.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -68.5 -39.43 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ARG . 93.6 mt -56.01 -58.84 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.77 74.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.8 t -45.47 -40.6 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.94 -18.51 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.453 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 125.1 -30.31 4.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 109' ' ' LEU . 8.6 ptm180 -70.16 155.72 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.3 p -123.87 174.29 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 118' ' ' ASP . 76.1 mtm -55.21 -32.98 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' MET . 7.4 t70 -81.29 127.87 33.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 p -51.87 -35.31 44.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 123' ' ' SER . 9.5 t -50.2 -32.94 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.8 -66.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.2 t -48.42 -28.01 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 120' ' ' SER . 1.8 t -58.75 -34.77 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.17 -42.19 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.51 -39.83 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.88 -54.86 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.29 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.33 -64.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.93 -37.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.85 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -42.48 -57.95 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.11 -44.5 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 t -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -120.51 143.75 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -109.54 135.2 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -120.1 109.56 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -175.05 142.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.5 t-80 -100.55 112.25 24.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.68 -174.92 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -81.97 115.86 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -117.38 126.35 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 28.9 t80 -150.91 133.22 15.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -130.03 83.44 63.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 58.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtp85 -136.24 160.35 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -70.28 93.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 46.7 m170 -119.31 169.57 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -110.07 138.32 46.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.92 151.24 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -145.83 122.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 17.7 t80 -95.18 119.5 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.0 tptt -104.62 157.37 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' LYS . 45.7 mt-10 -33.21 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.5 22.53 12.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.48 167.79 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -159.76 133.74 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -142.18 154.53 44.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.438 ' CD2' HD12 ' A' ' 54' ' ' ILE . 2.3 p90 -141.02 138.63 33.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -123.16 165.23 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -73.73 -40.69 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.7 p -141.34 144.64 34.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -53.98 -42.48 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -48.14 -51.45 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.59 -53.92 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.52 132.16 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.699 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.74 -46.79 0.34 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.352 -0.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.19 -100.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -148.12 113.19 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.8 128.36 15.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' CD2' ' A' ' 42' ' ' TYR . 73.7 mt -34.11 -40.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.97 114.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -91.64 138.66 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -144.76 145.13 31.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 4.1 t30 -90.82 113.93 26.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.22 -42.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 5.1 ttpm? -57.45 107.56 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.99 -18.9 9.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -87.03 -175.62 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -124.79 162.42 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 12.4 p -144.47 114.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.4 t -110.83 123.11 36.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.57 4.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.82 31.97 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.47 148.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -134.45 96.7 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.63 -33.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -42.57 -45.59 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.77 32.71 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 44.13 46.18 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -114.44 153.24 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -153.56 120.04 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -132.36 146.98 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.22 96.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -75.02 98.99 3.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.16 128.93 40.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.7 mt -119.89 104.81 10.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.8 t -106.61 125.62 32.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 135.96 31.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 p -131.94 142.56 45.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -117.97 -2.97 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.41 -102.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.0 ttm -166.54 144.36 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -113.24 81.4 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -89.78 118.77 29.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.01 142.34 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -110.82 116.35 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -115.1 119.53 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -109.51 132.58 54.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -105.41 148.44 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.39 -57.21 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -129.63 178.62 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.04 -32.76 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -48.88 -54.31 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -69.48 -44.8 70.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -49.37 -59.69 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.6 -42.64 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -63.06 -67.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 30.4 m95 -55.71 -59.86 4.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.2 tpp -44.62 -64.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.9 -35.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.06 -53.42 14.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.4 m -54.05 -35.85 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -68.7 -37.08 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ARG . 21.9 mt -69.38 -51.57 35.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.4 t -47.23 -43.06 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -94.54 -30.59 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.06 -25.11 2.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' LEU . 96.0 mtt180 -65.51 152.78 43.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 p -134.09 162.3 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.412 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 49.0 mtm -42.05 -34.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.41 -42.16 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.9 147.02 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.2 p -74.82 -2.37 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -79.76 -19.19 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.412 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 10.4 t80 -50.88 -48.31 60.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 t -66.31 -31.58 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t -56.4 -25.04 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -86.31 -40.22 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.52 -38.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -72.73 -61.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.31 -42.22 14.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.44 -58.18 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.3 mt -46.61 -43.5 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.45 -64.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 130' ' ' ALA . 53.3 t80 -37.25 -51.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.2 mt -50.59 -47.84 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -54.95 -47.82 73.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.6 0.714 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.14 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -136.91 138.91 41.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.36 143.55 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.4 mmmt -131.77 105.78 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -171.07 147.29 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.4 t-80 -103.7 110.4 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.81 -174.57 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 11.6 mmp_? -81.82 115.6 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.7 mt -114.58 124.41 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 12.4 t80 -133.79 132.07 40.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -129.1 90.91 43.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 42.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 5.7 ttp180 -128.5 156.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.4 97.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.7 m170 -122.51 169.81 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -114.83 127.99 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -121.92 152.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.0 t -149.27 126.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.2 t80 -95.27 128.31 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.1 tptp -110.53 157.82 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' LYS . 30.3 mt-10 -30.9 -61.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -130.52 14.4 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.8 163.78 22.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 tt -154.02 131.82 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -149.37 169.96 19.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -152.32 167.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.575 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.16 160.02 41.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -55.91 -34.7 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -154.67 153.26 31.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -58.01 -38.65 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -52.94 63.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -41.91 -53.61 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -58.88 150.92 57.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.72 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.321 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.25 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' PRO . 19.2 t70 -150.15 122.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 132.84 24.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.5 mt -50.24 -36.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . 0.465 ' OE1' ' CD1' ' A' ' 57' ' ' LEU . 4.5 tm0? -175.0 139.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -125.09 140.4 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -138.64 146.58 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -86.73 105.86 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -53.85 -21.07 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 99.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -35.04 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -52.96 177.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -116.04 154.93 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.32 120.15 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -122.96 94.77 46.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.716 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 102.75 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.98 34.61 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -73.36 146.11 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -130.7 88.52 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.8 -37.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -46.3 -41.4 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.59 32.37 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 40.26 44.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 39.3 tttt -117.06 146.81 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -146.34 121.53 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.23 149.05 50.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -128.64 94.42 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -74.42 113.33 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 tp -98.13 109.02 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.22 115.28 30.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.34 116.31 37.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 139.16 39.66 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -139.12 147.34 53.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.683 0.754 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.85 37.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -92.88 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.55 -134.91 2.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.57 130.23 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 m -124.67 118.0 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CE2' ' A' ' 91' ' ' TYR . 1.8 pp20? -117.13 156.5 27.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.0 mt -140.5 123.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . 0.589 ' CE2' ' OE2' ' A' ' 89' ' ' GLU . 39.0 m-85 -97.64 124.02 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.9 mt -123.16 115.44 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -109.76 114.12 27.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.0 m -80.2 174.88 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -92.41 -53.05 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.03 168.49 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.92 -29.67 67.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -55.79 -49.8 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -71.44 -46.63 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -48.53 -57.12 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -41.76 -63.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 65.7 m95 -61.41 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 103' ' ' TRP . 12.4 tpp -37.72 -66.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.63 -36.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.18 -55.52 15.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -56.58 -40.45 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.83 -32.99 68.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.45 -56.06 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.57 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -43.33 -48.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -89.46 -8.92 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.11 -8.1 27.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.49 149.71 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 63.3 p -101.55 164.9 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 16.3 ttp -78.73 -20.19 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.81 80.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -54.28 142.0 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 m -54.58 -36.86 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 t -46.03 -29.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -45.89 -53.88 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.7 t -57.5 -35.94 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.8 t -50.15 -33.17 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.06 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.5 t -45.43 -40.23 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.38 -62.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.1 -36.06 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.0 mt -70.17 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 35.8 mt -43.26 -49.49 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -38.17 -51.19 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.85 -51.89 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -54.02 -45.33 71.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 53.7 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.968 . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.1 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.651 0.739 . . . . 0.0 111.134 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 106.47 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.311 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -122.49 158.82 28.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.16 153.53 21.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 14.5 mmtp -138.01 106.52 5.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.8 148.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.7 t-80 -104.41 113.57 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.01 -174.99 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 64.6 mmt-85 -82.05 115.69 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.9 127.31 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 27.2 t80 -138.89 136.02 35.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -134.12 86.95 35.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.456 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 45.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.872 0.368 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 31.5 mtm180 -101.37 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.44 91.58 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 9.1 m170 -117.26 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -109.85 130.83 55.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' C ' HG23 ' A' ' 34' ' ' VAL . 16.2 t -122.4 145.77 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 33' ' ' VAL . 63.4 t -139.57 122.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 24.5 t80 -95.23 127.35 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.8 tptm -113.1 157.49 21.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 16.0 mt-10 -32.44 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -117.01 24.65 11.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -141.75 168.14 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 41' ' ' SER . 2.2 tt -155.38 139.53 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.409 ' N ' HD23 ' A' ' 40' ' ' LEU . 75.6 m -149.35 156.7 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -152.16 152.1 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -128.21 160.05 33.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -60.37 -36.48 78.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -149.14 135.48 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -46.95 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -53.53 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -44.59 -58.05 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.95 151.2 4.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.73 -48.28 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.329 -0.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.49 -102.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -147.32 124.9 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.93 29.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -43.78 -53.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -146.61 109.32 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.46 122.02 34.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.99 153.63 44.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -98.47 106.65 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -38.45 -41.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -42.54 120.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.5 -36.54 4.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.1 p -61.49 173.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -115.71 151.0 35.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.17 120.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -119.69 125.93 27.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -127.21 33.65 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -85.78 146.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -132.57 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -37.17 -43.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 m -39.9 -48.11 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -109.01 40.52 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' GLY . 18.5 mm-40 34.84 52.4 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 32.9 ttpt -122.55 153.88 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 1.5 m-85 -158.26 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.78 141.21 51.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -111.7 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.431 ' CE ' HD11 ' A' ' 80' ' ' LEU . 48.1 tttt -72.41 103.43 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -98.72 133.14 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.431 HD11 ' CE ' ' A' ' 78' ' ' LYS . 10.1 mt -134.64 98.92 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -98.98 122.21 53.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 147.73 63.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.1 m -151.52 143.01 15.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.42 8.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.64 -24.1 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.41 -136.19 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 9.5 tpt -136.46 128.79 30.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -102.99 98.19 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -104.11 117.37 34.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.0 mt -122.48 135.49 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.1 115.51 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.5 mt -112.13 122.48 47.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -122.24 124.41 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.46 169.69 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.49 -41.13 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -132.29 176.2 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.3 OUTLIER -73.21 -29.3 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.456 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 18.4 mm-40 -55.33 -61.82 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.18 -37.54 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -59.03 -67.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.08 -48.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -52.89 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 57.0 m95 -55.88 -56.71 17.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.2 tpp -41.54 -64.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.62 -30.77 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.24 -52.55 26.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 62.8 m -61.6 -37.29 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.32 -37.93 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 121' ' ' TYR . 56.4 mt -70.2 -54.16 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.47 90.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 t -40.75 -42.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -96.76 -22.32 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 -36.62 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -49.48 160.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.0 p -134.27 -175.01 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 42.4 mtm -83.38 18.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.25 13.94 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -94.4 27.15 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.7 t 38.43 31.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 16.8 m -134.02 -33.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.45 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 3.7 t80 -38.19 -61.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -49.59 -34.22 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' SER . 1.5 t -53.75 -38.12 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.39 -53.92 12.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -43.46 -42.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.54 -58.11 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.44 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' LEU . 71.1 mt -55.41 -62.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 47.7 mt -37.06 -43.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.65 -61.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -38.92 -47.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.3 -47.44 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -52.84 -35.1 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 35.3 mm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.591 0.71 . . . . 0.0 111.18 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -120.78 138.1 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.95 137.2 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 34.1 mmtm -122.73 109.0 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.4 m-20 -175.01 144.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.11 114.76 29.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -89.7 -174.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.92 115.65 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -114.33 127.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -150.65 136.18 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -129.81 129.44 23.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 51.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -146.27 168.99 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -79.87 106.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 14.5 m-70 -130.32 170.21 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -108.16 131.01 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.69 148.23 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.52 123.48 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.0 t80 -95.04 133.17 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.2 tptm -119.13 157.67 27.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 38.8 mt-10 -32.8 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -115.5 24.53 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' LEU . 30.0 m -141.79 166.43 24.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' THR . 5.6 tt -162.03 134.6 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -149.39 157.08 43.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.647 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.0 p90 -133.34 172.23 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -149.26 162.15 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -94.76 -34.74 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -124.59 113.92 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 5.8 tm0? -48.04 -19.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.27 -34.88 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -58.98 -28.23 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -100.83 163.79 17.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.688 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.7 Cg_endo -69.75 -0.25 6.07 Favored 'Cis proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.343 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -19.96 -92.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.22 128.73 7.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.77 153.56 68.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.3 mt -61.4 -44.45 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.24 108.89 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -86.41 138.79 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mt -141.18 129.23 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 60' ' ' LYS . 30.4 t-20 -82.46 108.96 16.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.0 mt -51.76 -35.28 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.448 ' CB ' ' OD1' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -61.18 99.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -27.42 5.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.89 -179.29 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.66 154.17 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -131.55 119.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.85 94.75 42.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 119.36 6.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.38 82.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.37 125.57 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -119.11 73.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.95 -35.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -42.92 -41.82 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -123.59 40.96 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 72' ' ' GLY . 33.7 mm-40 36.82 47.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -103.41 153.02 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 48.8 m-85 -156.02 106.82 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -123.97 144.03 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -121.82 104.69 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -78.97 139.14 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -124.85 110.85 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.21 97.12 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.1 t -105.48 102.83 39.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.11 24.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 m -127.57 154.61 77.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -113.15 -35.13 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.29 -133.13 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.3 tpt -148.1 124.07 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 t -104.28 92.51 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 6.5 pt-20 -101.26 112.03 24.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.7 mt -114.31 148.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -119.12 125.09 48.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -122.32 119.5 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 86.9 m -89.5 173.96 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.42 -54.94 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -130.85 172.81 11.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 8.5 pt-20 -62.41 -33.1 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -47.29 -58.6 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -68.27 -48.59 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 104' ' ' MET . 4.9 t80 -46.27 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -37.96 -58.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -44.83 -64.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.6 m95 -56.65 -63.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.405 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 8.7 tpp -38.45 -69.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.09 -33.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.071 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.84 -52.58 14.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.6 m -55.59 -40.9 72.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -61.01 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.99 -52.89 62.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.23 83.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.8 t -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 140.46 -26.34 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -56.0 150.12 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.0 p -118.1 155.79 29.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 26.2 mtm -50.22 -32.74 17.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.93 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -67.73 141.24 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.7 m -65.84 -5.4 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -80.62 -11.86 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -58.92 -72.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 123' ' ' SER . 1.5 t -52.6 -32.51 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.19 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 122' ' ' THR . 1.1 t -54.1 -28.46 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -47.86 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.15 -39.17 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -72.66 -53.18 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.52 -34.68 50.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 84.2 mt -72.32 -54.57 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.95 -48.76 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.46 -57.4 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.5 -46.38 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.97 -52.15 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.7 t -53.46 -44.43 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.6 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.598 0.714 . . . . 0.0 111.136 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.74 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -118.6 150.67 39.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -107.78 139.68 41.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.0 mmtp -127.5 108.17 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-20 -173.58 145.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 7.7 t-80 -101.49 113.68 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -89.5 -174.92 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -81.97 115.7 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 mt -118.24 131.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.575 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 78.2 t80 -137.88 131.74 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -134.99 92.78 18.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 86.5 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.359 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -161.06 175.97 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 60.3 tt0 -101.95 83.09 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 17.5 m-70 -103.25 165.1 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.458 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 53.1 t-105 -101.67 127.84 48.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 t -120.52 136.48 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.37 118.94 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.25 134.6 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 15.2 tptm -122.15 157.88 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' LYS . 41.6 mt-10 -31.39 -71.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -119.03 20.88 12.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.61 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.0 122.28 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.73 160.63 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . 0.507 ' CE1' ' HB ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.09 155.7 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -138.56 174.52 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.435 ' CD ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -64.46 -20.9 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -174.4 163.0 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.458 ' N ' ' HB2' ' A' ' 32' ' ' TRP . 32.7 tt0 -63.6 -45.32 90.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.1 m-20 -53.26 -59.2 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ASP . 36.6 mm-40 -35.57 -51.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.25 161.89 0.71 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.8 -45.4 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.29 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.09 -101.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -164.49 133.05 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.728 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.592 ' N ' ' CE2' ' A' ' 43' ' ' TYR . 53.7 Cg_endo -69.79 129.58 17.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.507 ' HB ' ' CE1' ' A' ' 42' ' ' TYR . 19.6 mt -33.25 -44.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -175.31 136.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.451 ' OE1' ' N ' ' A' ' 57' ' ' LEU . 1.4 pp0? -109.21 167.02 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 1.3 mt -149.49 110.62 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.29 93.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -48.94 -19.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.84 82.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.71 12.4 6.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.05 176.61 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.13 141.84 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -117.45 123.0 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 94.8 t -124.96 96.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.73 118.89 5.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -115.67 32.71 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.89 143.71 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -131.9 85.13 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.3 t -43.97 -36.56 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' VAL . 73.5 m -35.51 -42.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -128.63 48.01 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mm-40 36.58 45.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.79 134.25 51.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -137.47 117.91 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.15 151.59 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.28 101.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -82.14 123.99 29.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -107.53 108.96 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.98 106.4 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 73.4 t -111.48 102.81 54.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -158.2 152.46 20.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.11 6.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -91.43 -42.05 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' MET . . . 157.25 119.63 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' GLY . 8.5 tpt -34.52 136.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 m -128.78 107.4 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 3.9 pt-20 -113.88 116.71 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 85.3 mt -112.6 138.6 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -102.69 119.19 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.01 114.3 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 94' ' ' CYS . 13.9 tpt85 -108.43 126.05 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 78.2 m -93.92 161.5 14.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.38 -51.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -32.87 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -51.58 -50.09 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -72.11 -47.62 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.29 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.96 -53.67 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -49.31 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 51.5 m95 -56.76 -63.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 tpp -39.56 -68.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.14 -38.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.69 -56.89 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 97.9 m -54.77 -36.5 64.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 -63.87 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.67 -48.92 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.84 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -47.26 -27.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -110.61 -15.03 13.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.31 -29.45 5.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -55.0 162.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 76.1 p -127.79 150.5 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.9 ttm -46.23 -42.59 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.38 -39.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.16 140.49 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -64.64 -18.39 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.0 t -63.22 -26.83 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -49.49 -61.69 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.3 t -54.27 -34.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 t -55.91 -28.3 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.56 -35.15 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.82 -37.5 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.68 -53.99 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.59 -46.67 58.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.26 -59.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.44 -45.38 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.63 -57.59 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -40.54 -58.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.5 mt -44.01 -47.24 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.2 t -54.26 -35.88 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 95.78 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -117.6 139.61 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.77 149.08 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -136.45 105.87 6.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.4 m-20 -173.29 152.0 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.8 t-80 -111.2 114.61 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -90.43 -174.94 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 9.6 mpt_? -82.28 115.73 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -116.97 124.39 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -134.81 135.81 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -130.27 109.62 16.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.558 0.694 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 72.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.38 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 5.6 tpm_? -108.28 150.06 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 47.1 tt0 -61.94 95.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 5.4 m-70 -120.67 169.18 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 55.5 t-105 -112.79 136.37 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.46 146.3 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.5 t -141.22 127.13 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.553 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 16.1 t80 -98.44 121.5 40.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 55.0 tptt -108.45 157.51 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 7.3 mm-40 -32.68 -73.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.79 23.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.0 m -139.97 168.21 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 tt -160.33 137.36 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -148.76 161.49 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -148.81 158.34 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -134.96 171.82 13.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 11.3 ptpt -74.28 -38.1 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -140.98 152.55 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.416 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.8 mp0 -63.3 -43.77 96.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.28 -52.41 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -42.27 -52.63 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.512 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.2 132.19 24.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.9 Cg_endo -69.7 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.393 -0.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.45 -99.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.85 124.77 3.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.408 HD13 ' C ' ' A' ' 43' ' ' TYR . 74.6 mt -49.92 -44.6 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -161.43 112.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -98.58 140.92 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.5 mt -147.96 157.93 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -99.1 109.3 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 mt -52.33 -29.6 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.459 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -68.39 88.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.03 -19.37 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -79.39 172.96 13.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.93 156.6 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.83 121.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . 0.414 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 87.3 t -126.94 98.21 31.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.48 34.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.43 147.19 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 71' ' ' SER . 61.1 t-20 -133.77 92.03 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -53.59 -20.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 69' ' ' ASN . 5.8 t -54.88 -52.31 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.95 48.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' GLY . 55.5 mm-40 35.57 52.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -115.05 144.44 43.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -151.8 112.45 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.3 138.39 44.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mt -109.62 117.73 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 80' ' ' LEU . 4.7 tmtt? -92.31 109.37 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -95.06 129.83 41.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 78' ' ' LYS . 7.4 tp -124.21 107.35 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -117.49 109.32 42.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 149.35 66.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' SER . . . . . 0.417 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 2.3 m -139.46 151.32 66.5 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.67 14.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -129.2 -30.49 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 174.84 106.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 87' ' ' MET . 2.7 ppp? -50.28 166.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.413 ' N ' ' SD ' ' A' ' 87' ' ' MET . 1.2 t -132.94 111.21 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.1 118.5 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.6 mp -112.71 141.17 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -116.25 106.56 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -105.83 122.38 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -112.19 127.4 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.7 m -96.68 166.73 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.91 -62.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -116.71 169.81 9.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.77 -27.28 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -56.63 -44.27 81.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.73 -47.51 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -50.11 -42.56 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.84 95.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -56.88 -55.28 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 46.4 m95 -66.08 -67.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 14.8 tpp -37.43 -63.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.46 -37.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -69.37 -56.18 9.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.0 m -52.49 -42.05 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.1 -32.27 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.79 -55.4 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.14 94.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t -40.63 -44.04 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -90.95 -21.46 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 131.4 -34.05 2.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -54.25 163.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 p -134.57 157.5 46.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.3 mtm -49.36 -40.14 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.71 128.85 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 119' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 121' ' ' TYR . 50.6 m -47.44 -45.55 25.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.2 t -38.27 -28.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.3 t80 -47.56 -54.76 10.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.0 t -60.43 -31.24 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -57.05 -34.31 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -76.02 -44.03 41.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.8 -37.86 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -73.64 -58.02 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.32 -37.76 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.27 -58.92 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.36 -41.76 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -74.5 -61.58 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 130' ' ' ALA . 77.7 t80 -37.11 -55.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.8 mt -47.49 -45.63 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.4 t -59.32 -41.35 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 -179.992 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.623 0.725 . . . . 0.0 111.122 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.97 3.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.24 148.45 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.87 134.72 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 1.6 mmmm -117.56 108.48 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.1 m-20 -174.95 143.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.1 t-80 -98.74 113.52 25.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.08 -175.09 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.1 tpm_? -82.11 116.13 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mt -118.81 127.36 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.556 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 5.4 t80 -145.45 132.04 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -133.42 107.09 12.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 99.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -134.11 178.28 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -98.1 101.05 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 10.4 m-70 -125.88 167.75 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 66.9 t-105 -106.57 139.81 40.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.89 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.3 t -143.66 123.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 14.3 t80 -95.54 132.41 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' GLU . 17.0 tptm -115.92 157.83 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.9 mt-10 -31.87 -72.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.65 22.5 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.19 165.06 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -155.86 125.48 6.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -140.73 153.35 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -140.55 173.32 11.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -144.51 170.16 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' HD12 ' A' ' 54' ' ' ILE . 5.5 pttm -78.48 -37.23 43.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 m -132.7 137.6 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.3 tt0 -62.06 -27.68 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' CA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -49.45 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -38.08 151.89 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.73 -48.54 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.36 -0.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.03 -94.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' PRO . 7.5 p-10 -143.47 118.56 6.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.81 15.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 44' ' ' LYS . 96.3 mt -41.67 -42.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -159.48 128.91 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -111.17 131.53 55.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.44 128.24 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 39.0 t-20 -82.8 108.26 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.9 -39.55 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -49.34 96.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.69 21.94 6.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.9 p -107.84 -174.93 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -109.45 152.6 25.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.4 121.86 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.15 95.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.91 13.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -111.6 25.77 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.452 HG13 ' CD2' ' A' ' 75' ' ' PHE . 89.5 t -66.84 131.28 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' VAL . 24.3 m-20 -133.38 78.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ASN . 94.8 t -35.1 -36.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -41.09 -56.48 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.35 36.67 4.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 37.8 47.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -106.47 155.26 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CD2' HG13 ' A' ' 68' ' ' VAL . 68.6 m-85 -153.27 105.19 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.24 140.14 52.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -117.75 96.5 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -68.67 122.1 17.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -116.41 112.81 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.51 107.27 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.8 128.0 26.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.72 26.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -137.84 140.17 28.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -0.84 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -119.15 -20.58 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.59 -143.9 7.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.5 ttm -138.16 135.36 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -108.65 81.78 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -94.13 115.99 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.91 150.52 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -113.77 109.88 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.97 114.18 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -110.62 100.76 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.1 m -70.73 167.94 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.19 -50.99 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -125.48 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 12.7 pt-20 -68.36 -28.29 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -55.0 -60.66 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -62.57 -44.2 96.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -49.92 -56.13 11.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -51.64 -66.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ALA . 78.7 mtt180 -35.57 -66.98 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 37.3 m95 -56.24 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.9 tpp -38.15 -66.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.82 -40.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.65 -56.5 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.1 m -51.92 -41.54 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.94 -39.69 94.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' ARG . 14.1 mt -66.84 -42.96 84.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.24 63.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -49.87 -47.28 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.18 -32.63 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.33 -23.28 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LEU . 94.3 mtt180 -60.15 152.84 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.9 p -125.9 149.56 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 28.4 mtm -43.88 -32.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.44 -39.92 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.64 163.89 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.7 m -79.88 -23.93 41.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 m -53.99 -34.07 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -38.68 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -52.88 -32.08 43.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 t -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -54.29 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.32 -38.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.39 -57.82 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.86 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.84 -62.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 23.3 mt -39.85 -47.1 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.82 -59.91 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 130' ' ' ALA . 78.6 t80 -36.4 -53.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 95.3 mt -44.18 -44.04 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 133' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.8 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.416 HG21 ' CD ' ' A' ' 10' ' ' GLU . 47.7 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.612 0.72 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.75 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CD ' HG21 ' A' ' 8' ' ' ILE . 15.4 mt-10 -116.94 151.17 37.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -101.19 140.73 35.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 27.5 mmtm -124.35 105.84 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.3 m-20 -174.49 142.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.5 111.93 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.04 -175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . 0.558 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 8.1 ttm180 -81.95 115.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -115.22 137.32 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.3 t80 -152.58 136.88 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 18.5 mtm105 -143.71 105.04 4.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 16' ' ' ARG . 17.6 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.11 170.22 16.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.94 108.65 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 67.0 m-70 -131.64 169.68 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -111.98 128.44 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.404 ' C ' HG23 ' A' ' 34' ' ' VAL . 93.7 t -123.11 145.74 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 33' ' ' VAL . 99.2 t -143.74 126.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 21.7 t80 -96.78 119.89 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.7 tptm -104.09 157.72 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 36' ' ' LYS . 24.9 mt-10 -32.4 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -115.0 24.47 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -143.23 166.35 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 41' ' ' SER . 4.9 tt -159.11 124.65 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' SER . . . . . 0.458 ' N ' HD23 ' A' ' 40' ' ' LEU . 26.2 m -140.23 159.32 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -142.9 170.3 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -143.85 167.49 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -70.02 -18.49 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.6 t -163.57 149.81 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CD ' ' C ' ' A' ' 46' ' ' GLN . 5.9 tm0? -59.78 -39.88 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.08 -55.72 24.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -41.11 -52.8 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.53 133.26 6.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.4 Cg_endo -69.77 -39.42 1.34 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.321 -0.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.65 -97.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -158.18 122.37 2.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 123.86 10.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -39.99 -43.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -166.85 107.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' C ' ' HG ' ' A' ' 57' ' ' LEU . 16.7 pt20 -93.35 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 56' ' ' GLN . 3.0 mt -148.47 163.99 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -99.9 120.92 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.97 -38.05 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.445 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -59.6 104.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.23 -21.16 8.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 p -79.85 -179.76 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.67 159.41 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.5 t -139.29 112.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -107.46 101.59 40.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.29 9.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.43 75.06 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 132' ' ' LEU . 96.2 t -101.36 119.32 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' SER . 36.6 t30 -115.48 68.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -39.58 -28.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.0 t -44.94 -46.42 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.37 42.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 40.78 50.31 2.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.977 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -106.26 131.13 53.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -137.31 106.73 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 55.4 m -131.34 149.83 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.6 mt -117.92 125.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -102.73 108.58 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.9 tp -98.94 114.08 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.76 98.66 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.49 131.15 21.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 150.6 68.18 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -143.24 156.51 61.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -106.66 -40.8 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.45 -93.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 88' ' ' SER . 7.1 tpp -155.07 122.0 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' SER . . . . . 0.439 ' N ' ' SD ' ' A' ' 87' ' ' MET . 3.6 m -97.21 94.86 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 118.52 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.5 mt -107.0 137.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -107.78 125.06 50.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.3 mt -124.46 114.24 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -103.1 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 65.5 m -80.33 162.22 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -77.6 -61.27 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -121.94 179.9 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -69.97 -27.25 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 15.8 mm-40 -58.04 -57.96 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -63.82 -35.04 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -59.21 -56.61 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.33 64.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -51.0 -63.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.494 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.0 m95 -60.52 -62.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 tpp -41.27 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.22 -36.22 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.4 -54.44 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.6 m -55.77 -39.85 71.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.01 -52.9 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -61.81 -40.79 96.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -39.82 -32.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -105.73 -17.5 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . 122.36 -10.24 9.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -67.83 151.85 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 37' ' ' GLU . 82.2 p -118.93 145.05 46.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.7 ttp -44.79 -36.62 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.79 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.82 134.93 57.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.0 m -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 120' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' SER . 83.3 p -55.91 -34.42 65.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 8.7 t80 -36.24 -65.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.6 t -53.67 -32.77 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' SER . 2.0 t -56.86 -28.01 61.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.67 -44.45 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.04 -35.47 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -76.51 -57.58 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.91 -36.78 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LEU . 63.1 mt -72.61 -67.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' ILE . 36.6 mt -36.24 -47.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.38 -61.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -39.74 -45.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 68' ' ' VAL . 93.3 mt -49.8 -47.36 51.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -58.94 -47.46 84.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.934 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 10' ' ' GLU . 43.0 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.543 0.687 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 97.83 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 8' ' ' ILE . 28.8 mt-10 -117.56 150.86 38.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -104.03 131.42 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -117.05 109.63 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -174.68 149.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 5.3 t-80 -101.9 114.68 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.427 HD12 ' CE3' ' A' ' 103' ' ' TRP . 7.5 mt -89.65 -174.75 4.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -81.97 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.86 132.45 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.532 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 6.4 t80 -142.08 131.65 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -134.88 83.45 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 26.9 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.09 156.36 45.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -92.56 94.37 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 64.9 m170 -118.3 151.05 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' TYR . 54.3 t-105 -82.78 145.59 29.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.7 t -136.26 144.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.22 120.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' PHE . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.5 t80 -95.18 127.87 41.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 22.4 tptt -110.57 157.45 19.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.1 mt-10 -32.77 -67.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -121.66 18.64 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.48 169.64 17.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -153.68 138.67 17.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -148.79 142.44 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -133.37 148.36 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 1.3 m-85 -127.4 166.36 18.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -81.81 -33.0 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' ASP . 8.2 m -144.27 122.81 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -44.65 -22.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' SER . 39.9 m-20 -72.91 -40.04 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -62.97 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -88.07 147.2 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.79 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.361 0.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.79 -98.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -148.35 117.83 4.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.731 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.71 144.86 55.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.38 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.69 -44.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -167.18 118.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -99.16 137.11 38.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 157.57 44.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -103.85 114.34 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.5 mt -63.49 -9.33 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -71.89 100.38 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.32 21.95 9.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 p -105.1 -175.07 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.99 149.25 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.6 t -138.49 125.54 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.8 106.59 20.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.53 38.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.52 34.47 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 75' ' ' PHE . 5.1 p -78.02 133.76 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -125.97 77.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.6 t -40.46 -28.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 t -49.79 -52.26 33.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.87 34.6 5.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 42.03 52.71 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -126.69 137.53 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -138.83 123.39 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.6 t -136.92 162.11 34.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.08 106.02 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -79.15 107.14 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 tp -99.16 129.94 45.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -133.67 102.45 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -109.21 133.68 20.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.33 62.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -144.03 147.14 36.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -9.63 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -107.05 -28.08 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.32 -123.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 ttm -142.26 137.14 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -107.12 93.47 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -96.28 116.54 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.61 138.08 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -103.78 124.32 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.63 115.65 23.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -115.51 109.14 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.21 169.62 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -91.77 -39.23 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -143.17 163.95 31.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.31 -39.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.76 -61.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.6 -44.14 97.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -49.31 -61.59 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.35 -55.08 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -46.49 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 47.2 m95 -60.56 -64.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' TRP . 6.4 tpp -34.94 -67.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.98 -36.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 106' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -64.24 -55.43 23.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.5 m -53.52 -44.13 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -60.74 -51.8 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.07 -43.04 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.48 -31.93 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -50.59 -29.3 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.23 -40.82 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.17 -7.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -74.3 149.87 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 115' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 37' ' ' GLU . 52.7 p -114.65 149.04 37.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 116' ' ' MET . . . . . 0.433 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -46.67 -39.75 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.39 -39.05 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.4 129.04 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.1 p -47.92 -37.47 14.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -43.05 -27.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 121' ' ' TYR . . . . . 0.433 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 8.4 t80 -51.92 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 122' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 123' ' ' SER . 3.0 t -54.83 -28.15 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 123' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 122' ' ' THR . 1.4 t -58.47 -34.36 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.96 -45.2 20.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.23 -46.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -64.45 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.13 -43.01 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.83 -57.88 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.7 mt -39.18 -52.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -58.53 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -39.51 -54.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.6 mt -51.62 -47.48 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -56.87 -47.45 80.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -91.65 115.71 28.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.798 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -158.3 134.12 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.21 -109.28 2.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -114.52 129.25 56.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -163.59 172.53 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 172.18 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.403 HG23 ' N ' ' A' ' 9' ' ' PRO . 29.5 mt -61.13 136.15 93.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.403 ' N ' HG23 ' A' ' 8' ' ' ILE . 53.3 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -129.24 146.56 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -101.12 143.28 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.433 ' CD ' HG22 ' A' ' 34' ' ' VAL . 25.7 mmtm -134.43 106.93 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -172.61 139.8 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 17.6 t-80 -93.67 111.94 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.87 -174.9 4.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -82.09 115.88 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.97 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.559 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 46.4 t80 -134.12 132.71 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -134.27 88.75 29.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.559 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.3 Cg_endo -69.77 -16.04 37.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.401 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -96.95 36.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -170.09 157.86 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -50.73 116.75 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 8.7 t -150.21 151.85 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 6.1 mp -136.18 147.03 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.16 40.18 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -103.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -81.87 153.24 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 tpt85 -131.58 129.85 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.44 123.14 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.466 ' CE1' ' HA ' ' A' ' 44' ' ' LYS . 2.4 m-70 -140.36 170.02 16.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -109.92 121.62 45.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.5 t -117.72 150.3 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.433 HG22 ' CD ' ' A' ' 12' ' ' LYS . 69.2 t -146.85 124.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.926 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.438 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 22.8 t80 -97.31 125.91 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.4 tptm -111.55 157.65 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' LYS . 31.0 mt-10 -32.23 -68.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.7 p -122.62 18.82 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -133.16 166.23 22.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.977 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 tt -158.75 129.64 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -148.39 148.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.8 p90 -132.63 174.31 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.605 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.27 163.93 32.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HA ' ' CE1' ' A' ' 31' ' ' HIS . 22.0 ptmt -78.97 -34.54 44.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 47' ' ' ASP . 35.6 t -153.38 132.55 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' SER . 3.5 tt0 -34.27 -34.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 45' ' ' SER . 30.3 m-20 -49.95 -59.89 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.9 mm-40 -37.88 -63.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.561 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -71.31 162.19 74.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.489 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.1 Cg_endo -69.79 -1.82 6.87 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.289 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.49 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.9 -87.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.42 134.67 6.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.573 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.72 166.34 27.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -64.46 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.917 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -165.3 111.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -89.69 139.1 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.435 HD12 ' CG2' ' A' ' 81' ' ' VAL . 0.1 OUTLIER -140.28 147.21 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -88.95 101.31 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.401 ' O ' ' N ' ' A' ' 61' ' ' GLY . 40.5 mt -45.08 -45.07 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 8.0 tmtm? -51.04 92.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 131.08 -34.17 2.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.1 p -59.67 174.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.444 ' C ' ' OE1' ' A' ' 63' ' ' GLU . 0.0 OUTLIER -110.77 146.63 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 46.8 t -132.78 110.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.967 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 55.1 t -108.69 120.68 45.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -129.87 46.96 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 HG13 ' CZ ' ' A' ' 100' ' ' TYR . 1.9 m -94.57 144.59 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -134.17 90.69 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' SER . 90.9 t -46.35 -32.25 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' VAL . 3.4 m -38.29 -38.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.08 44.73 1.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 38.25 45.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -109.4 146.33 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.46 105.05 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.68 155.09 26.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 21.4 mt -133.42 110.96 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 13.3 tttt -88.34 107.15 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.851 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.4 tp -97.52 110.9 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.457 ' HG ' ' CE ' ' A' ' 87' ' ' MET . 3.2 tp -102.33 116.26 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.435 ' CG2' HD12 ' A' ' 57' ' ' LEU . 27.1 t -126.02 133.56 25.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.84 43.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m -131.31 147.69 67.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.72 12.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -115.57 -30.33 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.06 -92.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.457 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 28.7 mmm -155.44 171.53 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -134.76 73.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -94.24 111.22 22.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.0 133.26 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -100.41 117.01 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.24 115.87 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -109.64 129.23 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -97.24 148.76 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.18 -41.75 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -134.11 -176.33 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.442 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -75.73 -28.47 58.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.442 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 35.5 mm-40 -55.86 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.04 -33.73 67.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.462 ' CZ ' HG13 ' A' ' 68' ' ' VAL . 38.0 t80 -64.75 -64.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.24 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -60.33 -66.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.438 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 45.9 m95 -57.22 -65.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.5 tpp -38.31 -63.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.912 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.83 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.19 93.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -61.22 -48.83 79.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -57.36 -46.63 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.0 mt -57.52 -37.56 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.39 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -59.22 -40.58 86.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -84.69 8.77 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.457 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 92.33 -31.69 5.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.86 174.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.8 p -141.64 157.39 45.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.88 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.564 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.1 ttp -53.58 -32.81 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.1 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.27 155.96 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -38.31 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 m -41.75 -33.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.564 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 22.7 t80 -38.91 -63.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -59.43 -31.91 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 t -58.57 -24.49 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -87.01 -47.06 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.39 -40.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.79 -65.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.53 -40.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.1 mt -67.2 -66.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.7 mt -34.9 -45.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -56.97 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.493 ' CE2' ' NE2' ' A' ' 135' ' ' GLN . 58.4 t80 -39.43 -50.91 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.84 -50.01 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -54.43 -41.88 69.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.0 mt -60.4 -46.54 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.493 ' NE2' ' CE2' ' A' ' 131' ' ' PHE . 42.6 mt-30 -43.96 -44.97 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -42.38 162.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -168.7 162.5 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -161.36 159.09 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.97 -151.94 23.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -163.18 139.15 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -89.13 128.4 35.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.32 -156.18 23.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.414 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 75.1 mt -61.85 137.51 95.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.414 ' HD2' ' CG2' ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.76 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -120.33 137.7 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -105.25 140.3 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.7 mmmm -129.56 106.35 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.71 139.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.5 t-80 -96.16 111.9 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.1 mt -87.84 -174.76 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.56 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 23.4 ttt180 -82.07 115.73 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 97.1 mt -120.37 142.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.566 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 1.9 t80 -159.69 134.7 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -127.92 112.73 20.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.14 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -50.98 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -58.86 120.01 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.67 74.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.0 p -125.6 115.76 20.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mp -45.82 -45.8 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -108.86 105.61 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.38 -66.76 1.58 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.566 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 91.7 m-85 -56.49 125.23 21.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 45.2 ttt180 -144.83 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 39.1 tt0 -75.11 97.55 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.9 m170 -122.01 168.93 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -115.27 122.54 46.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -114.36 144.32 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -137.28 121.87 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.463 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.1 t80 -95.44 129.38 42.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 37' ' ' GLU . 35.7 tptt -115.71 157.3 24.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt-10 -33.13 -71.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.37 19.37 13.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -137.16 171.48 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.988 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.6 tt -161.0 134.2 6.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -139.05 165.03 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -158.56 156.63 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.514 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -136.45 168.45 19.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' N ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -83.54 -22.46 32.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 7.6 m -143.02 130.58 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -55.17 -46.1 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -55.22 -44.82 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.426 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 55.5 mm-40 -51.18 -50.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.514 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -66.66 155.19 89.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.514 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.77 -49.44 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.383 0.025 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.11 -98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -139.01 121.94 10.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 131.21 20.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.444 HD11 ' N ' ' A' ' 44' ' ' LYS . 73.0 mt -43.39 -51.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -159.11 118.87 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -86.58 134.33 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.86 124.43 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LYS . 55.1 t30 -83.0 94.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.426 ' C ' ' O ' ' A' ' 58' ' ' ASN . 17.9 mt -36.4 -33.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' ASN . 18.7 tttm -62.17 117.37 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 -23.54 35.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 m -67.48 -176.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -118.48 135.76 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.83 132.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 71.9 t -137.55 135.9 19.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.122 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.35 34.4 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.481 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 27.4 m -87.63 145.48 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -133.06 98.44 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.65 -41.93 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -29.15 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.05 25.66 8.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 42.09 37.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 20.4 ttmm -113.59 149.73 34.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.533 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 13.8 m-85 -147.81 114.07 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.3 t -134.53 151.55 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.1 mt -121.11 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 40.0 tttt -69.59 117.76 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -115.36 112.26 22.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -119.1 111.2 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.838 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.402 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 22.0 t -109.54 109.91 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.402 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.73 133.15 24.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m -146.95 153.67 46.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.74 37.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.57 -24.46 42.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.9 -100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.41 124.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 m -99.91 106.31 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.78 122.64 39.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.37 122.53 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -111.0 120.58 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.4 mt -113.8 114.34 26.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -111.86 123.84 51.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.2 m -95.3 170.33 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -81.11 -59.11 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -117.88 178.61 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.533 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 14.3 pt-20 -73.8 -33.11 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -49.21 -49.92 40.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.64 -45.73 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.481 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -49.99 -46.03 52.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.85 80.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -51.63 -66.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.463 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.5 m95 -57.82 -46.51 84.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.7 tpp -46.08 -70.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.41 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.99 -47.08 89.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.5 m -62.55 -46.82 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -61.48 -53.08 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.479 ' O ' ' N ' ' A' ' 114' ' ' ARG . 19.1 mt -47.88 -36.18 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.81 -40.93 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.2 t -43.47 -41.86 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -92.72 -24.58 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.56 -31.9 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' LEU . 38.1 mtt85 -48.59 155.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -120.54 155.9 32.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.529 ' CG ' ' CD1' ' A' ' 121' ' ' TYR . 7.3 ttm -55.68 -38.84 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.96 -44.27 3.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.895 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.18 139.04 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m -58.66 -28.41 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 m -57.12 -21.41 32.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.529 ' CD1' ' CG ' ' A' ' 116' ' ' MET . 7.2 t80 -50.15 -47.11 54.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -71.49 -37.39 71.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 m -50.84 -38.48 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -35.39 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 83.3 t -62.67 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -64.56 -60.68 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.44 -41.48 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 48.2 mt -57.81 -67.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.65 -37.66 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.4 -54.14 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.436 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 39.4 t80 -54.58 -46.82 73.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.31 -42.82 64.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -61.74 -37.95 86.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 19.4 mm-40 -50.58 -42.54 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.46 154.6 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -64.27 122.07 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -68.28 175.27 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.34 -146.69 9.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -151.73 119.57 6.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -67.69 134.14 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.04 -155.26 53.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.421 HG22 ' CD ' ' A' ' 37' ' ' GLU . 23.2 mt -44.98 135.85 4.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.361 179.897 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -132.15 141.04 48.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -101.03 140.28 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -128.77 105.32 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.7 m-20 -175.7 154.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.2 t-80 -108.38 112.73 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.0 -174.71 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 117.51 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 48.3 mt -119.79 134.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 36.0 t80 -141.45 135.66 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -131.31 87.54 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.568 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.2 Cg_endo -69.74 -15.47 37.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.422 ' HD2' ' C ' ' A' ' 21' ' ' ARG . 5.7 tmm_? -79.09 120.89 24.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.36 45.84 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tp -55.59 139.83 42.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 t -116.54 -32.95 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 26' ' ' LYS . 56.5 mt -137.58 174.6 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 31.9 tttp -37.17 136.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -42.46 -94.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.557 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 94.7 m-85 -74.65 137.3 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -143.53 173.11 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -77.72 90.37 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 13.6 m170 -114.33 170.43 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -117.5 140.24 49.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.65 151.45 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.0 t -148.18 124.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.571 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 37.5 t80 -95.42 136.45 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.8 tptm -118.79 157.53 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 26.6 mt-10 -32.13 -71.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.43 ' CG2' ' O ' ' A' ' 113' ' ' GLY . 0.9 OUTLIER -119.28 22.67 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -139.1 166.02 25.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.4 tt -153.76 128.22 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -139.8 147.1 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 6.0 p90 -135.33 175.38 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -147.5 147.21 29.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.444 ' N ' ' CD1' ' A' ' 54' ' ' ILE . 34.3 ttmt -54.96 -26.85 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.6 m -168.71 135.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' SER . 6.7 tm0? -34.09 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' SER . 9.1 m-20 -51.23 -53.34 36.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' ASP . 7.5 mm-40 -36.3 -60.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' ' N ' ' A' ' 51' ' ' GLY . . . -74.84 167.04 40.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.496 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.6 Cg_endo -69.74 -2.12 6.96 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.366 -0.044 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.496 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -30.19 -88.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -159.42 140.06 9.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.571 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.4 Cg_endo -69.78 148.39 64.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.444 ' CD1' ' N ' ' A' ' 44' ' ' LYS . 69.0 mt -51.66 -43.4 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -160.75 133.74 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -111.06 127.91 55.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.414 HD13 ' N ' ' A' ' 57' ' ' LEU . 2.1 mp -133.1 168.97 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -110.25 102.56 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.416 HD11 ' CB ' ' A' ' 110' ' ' ALA . 63.5 mt -40.9 -32.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.963 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -53.05 115.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.67 -1.69 60.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.4 p -78.28 175.53 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.879 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -109.86 126.31 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.42 111.46 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 41.2 t -122.29 100.24 42.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.89 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 124.19 10.84 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.15 37.89 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.543 HG23 ' CD2' ' A' ' 75' ' ' PHE . 3.5 p -87.92 127.6 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -121.39 77.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -40.58 -32.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 p -42.53 -45.3 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.71 14.04 29.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 59.37 48.2 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -123.96 107.97 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.566 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 3.1 m-85 -104.73 115.34 30.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 t -127.92 162.32 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.5 105.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 50.5 tttt -76.11 118.67 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp -103.18 108.75 20.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.465 ' HG ' ' CE ' ' A' ' 87' ' ' MET . 5.8 tp -115.74 115.47 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 93.3 t -124.73 118.11 26.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 138.91 38.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.418 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 3.8 m -130.47 148.07 68.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.25 13.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -127.91 -31.95 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.418 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 175.44 95.01 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.465 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 22.5 ptm -41.94 164.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -124.44 139.92 53.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 80' ' ' LEU . 38.4 tt0 -129.15 111.33 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.62 149.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -115.9 127.23 54.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.76 125.22 50.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -119.1 105.88 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -78.74 161.39 26.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -89.82 -40.37 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.83 164.43 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.566 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 15.8 pt-20 -60.85 -32.64 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.66 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -58.23 -40.06 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -51.64 -59.26 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.79 -59.32 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -38.93 -63.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.571 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.3 m95 -63.75 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 9.1 tpp -38.17 -66.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.67 -40.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.82 -48.26 78.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.6 m -59.5 -41.28 89.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.0 mt -68.7 -48.9 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.416 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -65.41 -32.66 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.782 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -47.22 -48.3 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -89.25 -18.33 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . 127.35 -29.57 4.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -53.49 162.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 17.5 p -139.21 158.67 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.871 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.8 mtm -47.46 -32.66 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.42 -34.05 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -71.88 127.2 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 43.9 t -48.53 -29.54 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.736 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.9 p -51.17 -32.27 22.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -39.51 -69.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -48.67 -33.53 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -56.01 -32.29 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.35 -52.85 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 57.7 t -46.77 -38.14 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -74.6 -64.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.3 -40.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' LEU . 56.2 mt -64.75 -64.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.4 mt -36.07 -45.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.41 -57.63 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -39.93 -53.57 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 91.8 mt -51.96 -44.56 64.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.987 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -56.1 -42.73 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt -57.34 -28.35 63.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -65.76 -35.55 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 136' ' ' ARG . 0.1 OUTLIER -51.7 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -42.21 -60.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -46.3 135.66 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.08 179.09 19.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -116.36 36.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -126.42 151.24 47.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.17 169.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -43.72 130.7 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -136.71 137.3 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -93.5 132.12 38.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.457 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 30.0 mmtm -120.6 107.16 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 15.9 m-20 -171.94 138.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t-80 -100.22 114.4 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.99 -174.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -81.97 115.67 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.71 131.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.546 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 44.0 t80 -148.53 132.92 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -131.64 95.04 24.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.546 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.78 -18.24 37.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 9.3 mtp-105 -85.29 46.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -158.98 144.27 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.56 88.41 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -166.23 145.32 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tp -40.8 109.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -51.7 154.35 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.15 -171.26 15.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -112.01 153.18 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -125.18 167.98 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -86.2 87.44 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 25.8 m170 -107.84 169.63 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.505 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 64.6 t-105 -115.86 121.53 42.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 t -112.68 142.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -135.6 121.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.556 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.5 t80 -95.19 128.12 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -112.89 157.43 21.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 36' ' ' LYS . 4.8 mm-40 -32.49 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.75 23.17 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 4.2 m -140.03 169.53 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.0 tt -156.46 139.74 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 p -145.55 160.49 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.9 153.49 38.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.565 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 m-85 -134.96 168.66 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 50.2 mtpt -85.78 -37.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.9 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 t -139.29 122.56 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.505 ' HG3' ' CG ' ' A' ' 32' ' ' TRP . 5.8 mp0 -42.46 -26.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.02 -42.35 85.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.41 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.5 pt-20 -63.1 -18.69 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -96.16 149.18 35.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.76 -48.49 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.323 0.037 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.01 -98.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -146.13 122.67 5.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.565 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.5 Cg_endo -69.77 145.82 58.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 65.0 mt -47.9 -45.05 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.402 ' OE1' ' O ' ' A' ' 56' ' ' GLN . 0.0 OUTLIER -173.87 105.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.402 ' O ' ' OE1' ' A' ' 55' ' ' GLN . 15.4 pt20 -67.0 145.59 55.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 30.2 mt -128.44 157.88 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -116.64 93.84 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.431 HD13 ' CB ' ' A' ' 110' ' ' ALA . 11.9 mt -37.46 -42.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -56.51 105.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 -19.89 12.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 m -76.89 -176.07 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.889 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.21 157.96 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -128.11 124.39 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.95 94.92 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.68 13.56 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.02 15.19 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 65.2 t -48.16 124.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 35.3 m-20 -126.18 72.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' ASN . 90.0 t -36.06 -38.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -38.89 -52.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.75 43.29 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLY . 58.8 mm-40 36.9 54.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -114.18 132.6 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -135.54 112.75 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -132.3 156.03 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt -127.39 99.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 30.2 tttp -71.89 122.5 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.842 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.34 109.77 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 HD22 ' N ' ' A' ' 80' ' ' LEU . 4.3 mm? -112.04 109.24 18.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 44.7 t -116.5 121.26 33.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.135 179.841 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 140.21 41.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -150.36 153.37 34.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.59 -44.96 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.79 -79.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.9 tpt -172.44 129.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -107.21 94.99 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.02 116.06 31.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.6 138.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -108.37 125.15 51.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.6 mt -123.94 114.19 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -109.26 127.17 54.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.09 167.9 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -85.89 -51.62 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -127.86 157.84 39.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.15 -28.95 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.94 -49.31 73.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -73.1 -41.51 63.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.5 t80 -53.42 -49.56 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.827 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.78 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -50.55 -63.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.556 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.5 m95 -60.91 -62.15 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' TRP . 20.3 tpp -36.29 -68.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.76 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -52.69 45.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.83 -43.61 94.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.22 -36.62 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.41 ' CD1' ' HA ' ' A' ' 121' ' ' TYR . 19.6 mt -67.31 -41.37 85.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.431 ' CB ' HD13 ' A' ' 59' ' ' LEU . . . -75.14 -24.64 58.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -56.85 -39.77 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -103.59 -2.26 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 118.69 -45.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -40.43 153.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 24.8 p -130.43 166.95 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 -179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttm -56.45 -34.02 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.88 46.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.61 150.6 48.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -69.28 -23.67 63.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -60.39 -21.97 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.41 ' HA ' ' CD1' ' A' ' 109' ' ' LEU . 14.6 t80 -50.69 -57.33 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -51.31 -35.35 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.34 -48.4 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 93.5 t -49.66 -39.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.72 -56.08 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.39 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.7 -66.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.7 mp -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.866 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.38 -65.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' ALA . 57.4 t80 -37.48 -47.97 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 31.9 mt -55.35 -48.56 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 180.0 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.69 -39.13 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.2 mt -58.24 -41.43 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.402 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 21.5 mm-40 -51.2 -54.15 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.09 159.85 32.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -96.79 129.66 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.84 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 t -167.16 138.53 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.44 143.28 1.85 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -72.13 -56.0 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t 68.44 39.76 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.19 -174.86 44.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 67.4 mt -51.04 136.02 28.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 109.87 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.85 144.83 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 141.68 35.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 30.3 mmtm -129.7 109.24 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.782 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -174.0 142.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.9 t-80 -95.02 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 HD11 ' CD2' ' A' ' 103' ' ' TRP . 37.1 mt -87.92 -174.88 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.573 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 8.1 ttt85 -82.06 115.64 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -122.1 129.05 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 10.4 t80 -142.45 131.89 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.434 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 5.9 mmm180 -125.6 102.43 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.561 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.73 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -170.73 179.86 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.04 -22.22 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.02 169.83 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -61.1 151.23 31.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 14.6 tp -170.43 155.85 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ttmm -37.61 121.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.06 -126.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.573 ' CD2' ' HG2' ' A' ' 16' ' ' ARG . 47.5 m-85 -71.09 145.52 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -125.83 159.35 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -80.27 108.33 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 14.3 m-70 -132.61 169.9 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -109.13 125.6 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.55 149.27 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 54.6 t -146.57 123.99 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.483 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 38.0 t80 -95.23 131.96 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 37' ' ' GLU . 26.7 tptp -114.94 157.55 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' LYS . 6.4 mm-40 -31.57 -70.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -120.96 22.37 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.886 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -138.39 165.9 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.944 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.411 HD23 ' C ' ' A' ' 40' ' ' LEU . 5.0 tt -152.74 126.38 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.444 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 53.8 m -136.77 170.52 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -160.97 157.79 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -131.56 164.72 25.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.423 ' HE2' ' CD ' ' A' ' 48' ' ' GLU . 11.0 pttm -76.55 -28.36 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -48.56 -44.56 36.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -55.21 8.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 11.0 mt-10 -38.6 -60.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.524 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.21 155.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.524 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.84 -51.04 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.338 0.034 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.32 -107.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -139.93 131.93 14.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.451 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.73 137.07 34.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -49.03 -50.57 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -155.42 108.14 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -86.71 120.47 28.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.536 ' CD2' ' N ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -86.05 177.32 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 60' ' ' LYS . 22.7 t30 -132.0 74.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.1 mt -42.27 -24.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.424 ' N ' ' O ' ' A' ' 58' ' ' ASN . 0.4 OUTLIER -68.06 90.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.62 -30.27 6.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.4 p -51.97 -175.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.97 158.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.8 t -134.42 124.38 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.4 t -130.0 94.71 30.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 131.76 21.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.987 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.66 37.15 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.521 HG12 ' CE1' ' A' ' 100' ' ' TYR . 2.9 m -78.06 140.07 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -128.55 94.78 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 91.0 t -47.65 -38.55 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 179.883 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -40.9 -59.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.88 37.2 3.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 39.36 39.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.407 ' HG3' ' CZ ' ' A' ' 93' ' ' ARG . 24.8 ttmt -97.46 148.68 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -154.92 107.89 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.38 130.56 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.47 HG22 ' CD1' ' A' ' 79' ' ' LEU . 17.4 mt -106.94 121.96 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 10.0 tttm -87.98 124.64 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.791 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.47 ' CD1' HG22 ' A' ' 77' ' ' ILE . 9.6 mp -113.81 114.36 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 4.4 mm? -123.85 114.43 19.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 24.1 t -120.33 125.85 27.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.851 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.88 26.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -139.49 150.19 62.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.74 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.55 10.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.57 -41.43 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.03 -114.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 4.4 tpt -144.07 120.98 11.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 -179.939 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -92.54 84.73 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -94.9 111.64 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.0 mt -119.68 137.74 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -110.0 129.88 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.2 mt -125.48 114.11 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.407 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 11.1 tpt180 -110.63 125.23 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.4 m -95.63 168.65 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -87.56 -57.97 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -122.16 165.35 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.443 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 19.4 pt-20 -62.6 -31.1 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -50.98 -46.77 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -75.94 -45.46 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.521 ' CE1' HG12 ' A' ' 68' ' ' VAL . 15.6 t80 -50.1 -60.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.55 -49.93 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -54.16 -64.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.8 m95 -59.62 -63.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 6.6 tpp -34.84 -67.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.91 -40.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -62.93 -44.08 97.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.0 m -65.45 -48.06 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -54.75 -40.64 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 10.8 mt -64.1 -56.28 16.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -27.96 69.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -59.79 -29.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -103.57 -5.88 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.33 -35.72 4.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 7.5 ptp180 -60.93 146.2 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 58.3 p -93.72 178.38 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.441 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 20.1 ttp -84.61 -26.4 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.8 -23.38 17.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.2 154.65 41.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 10.3 m -64.47 -39.52 93.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.752 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.3 m -44.75 -32.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.441 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 39.6 t80 -43.4 -67.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.6 t -49.55 -32.98 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 -32.18 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.95 -47.03 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.22 -38.84 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -74.28 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.89 -41.37 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.2 mt -64.03 -66.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.9 mt -36.04 -48.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.39 -61.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.448 ' C ' ' O ' ' A' ' 130' ' ' ALA . 60.9 t80 -34.77 -50.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.443 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.5 mt -50.61 -53.96 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -57.77 -46.97 83.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.7 mt -44.94 -31.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -68.49 -39.26 81.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -55.7 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -155.01 156.62 36.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -54.08 173.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.42 -78.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -46.47 130.44 11.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -57.1 125.37 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.68 159.37 31.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.466 ' CG2' ' HD2' ' A' ' 9' ' ' PRO . 79.6 mt -65.35 138.51 97.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . 0.466 ' HD2' ' CG2' ' A' ' 8' ' ' ILE . 54.4 Cg_endo -69.71 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -118.18 154.03 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.8 mt -110.23 138.23 46.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.969 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 37.5 mmtm -128.82 108.9 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 28.7 m-20 -174.38 141.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.6 t-80 -99.51 113.45 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.84 -174.96 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.513 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 24.0 mtt85 -82.09 116.05 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -118.44 120.49 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -143.62 139.69 29.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -129.36 133.43 25.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -1.37 8.37 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.425 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -82.17 161.99 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -75.88 52.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -100.57 -47.06 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -121.58 140.74 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -48.17 -59.61 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -111.06 -55.89 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' TYR . . . 126.07 -162.32 20.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.513 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 24.5 m-85 36.5 51.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -79.02 173.97 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -87.27 100.74 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.6 m-70 -125.29 170.09 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -112.85 125.6 54.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.416 HG13 ' N ' ' A' ' 34' ' ' VAL . 28.7 t -119.2 146.35 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.141 179.922 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.416 ' N ' HG13 ' A' ' 33' ' ' VAL . 90.3 t -139.62 119.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.517 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.3 t80 -95.25 134.54 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -118.32 157.68 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.6 mt-10 -31.11 -71.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' THR . . . . . 0.467 HG21 ' CG2' ' A' ' 115' ' ' THR . 1.1 p -120.47 23.05 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 3.8 m -139.44 167.3 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.6 tt -149.54 137.44 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -140.56 131.66 26.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.589 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -130.31 142.22 50.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.516 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -118.36 174.64 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.463 ' N ' HD13 ' A' ' 54' ' ' ILE . 47.9 mttp -78.82 -45.03 21.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.7 m -144.98 132.38 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ASP . 29.5 tt0 -40.98 -56.85 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -35.58 -54.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -39.76 -56.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.537 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -43.77 147.28 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.7 -44.57 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.359 -0.059 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 36.09 -102.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -160.73 136.69 6.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.649 0.737 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.516 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.463 HD13 ' N ' ' A' ' 44' ' ' LYS . 55.4 mt -42.94 -52.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.589 ' OE1' ' CE1' ' A' ' 42' ' ' TYR . 2.2 pt20 -144.46 137.54 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -117.87 105.3 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.413 ' CD1' HG13 ' A' ' 81' ' ' VAL . 2.5 mt -116.52 163.36 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.441 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 49.5 t30 -107.13 96.71 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ASN . 27.9 mt -34.69 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.441 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 19.0 ttpt -60.57 102.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.81 -39.0 2.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -57.83 178.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -107.28 164.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.22 123.03 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 50.2 t -128.58 95.9 31.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 106.0 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.57 35.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG22 ' CZ ' ' A' ' 100' ' ' TYR . 98.5 t -66.63 129.09 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -131.27 87.32 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' SER . 76.4 t -51.1 -37.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' VAL . 10.8 t -35.12 -43.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -126.98 44.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' GLY . 79.1 mm-40 36.71 51.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -107.71 146.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -153.26 105.35 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.06 145.52 51.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -114.94 94.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 14.4 tttp -70.8 101.94 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 12.3 tp -96.08 128.33 42.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.437 ' CD2' ' HG2' ' A' ' 78' ' ' LYS . 4.2 mm? -121.18 113.78 20.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.413 HG13 ' CD1' ' A' ' 57' ' ' LEU . 15.4 t -127.44 116.38 21.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 150.68 68.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -143.48 155.45 60.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -99.8 -38.73 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.62 -106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.6 tpt -150.79 139.07 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 t -112.05 101.37 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -113.77 116.44 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.3 132.37 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -104.84 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.8 129.67 45.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -126.24 106.23 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.15 152.14 38.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . 0.423 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 9.1 pt20 -62.62 -39.45 93.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . 0.423 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 24.3 p30 -142.88 -178.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.93 -27.47 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -53.05 -60.8 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.01 -39.29 94.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CZ ' HG22 ' A' ' 68' ' ' VAL . 6.8 t80 -50.49 -51.92 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.96 -62.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -40.21 -61.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.517 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 40.5 m95 -61.42 -62.85 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.2 tpp -40.15 -68.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.54 -42.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -61.68 -50.91 61.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.83 -48.45 78.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -56.3 -52.64 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.452 ' O ' ' N ' ' A' ' 114' ' ' ARG . 8.8 mt -51.66 -43.12 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.25 70.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.0 t -38.29 -40.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -99.38 -34.3 10.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.9 -37.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' LEU . 85.5 mtt180 -45.33 162.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.467 ' CG2' HG21 ' A' ' 38' ' ' THR . 76.7 p -145.02 160.78 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.53 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 27.5 mtm -49.01 -37.46 20.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.07 -39.39 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.32 155.01 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 80.7 p -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.766 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -46.08 -24.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.53 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 11.8 t80 -54.71 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.444 HG21 ' N ' ' A' ' 123' ' ' SER . 14.8 t -61.47 -31.36 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.444 ' N ' HG21 ' A' ' 122' ' ' THR . 2.4 m -57.8 -34.07 69.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.878 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -47.62 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.17 -43.07 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -65.09 -57.81 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.04 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.66 -59.29 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 mt -42.49 -53.02 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.24 -60.69 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ALA . 56.3 t80 -35.04 -48.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.98 -53.4 58.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -48.77 -39.55 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.96 -42.09 89.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -46.15 -53.22 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -87.2 166.21 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -104.2 91.12 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -59.46 -61.17 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.44 -175.6 31.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -148.45 169.13 20.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 t -118.02 96.13 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.1 121.63 2.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 27.7 mm -40.64 103.23 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.127 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.82 109.85 2.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 179.871 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.4 ' CD ' ' HD3' ' A' ' 36' ' ' LYS . 43.6 mt-10 -126.8 143.74 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.6 136.21 41.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.7 mmtm -122.19 107.84 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.7 m-20 -172.48 141.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.4 t-80 -99.79 113.21 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.85 -174.86 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.456 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -82.06 115.69 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.8 mt -117.8 119.91 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -133.88 132.05 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.01 108.99 18.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -4.07 13.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -83.59 -46.0 12.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -103.22 -53.11 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.4 mp -80.45 115.92 20.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.6 m -107.54 -51.28 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.19 -48.72 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -69.33 98.96 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.846 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.87 -83.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.524 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.456 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 74.3 m-85 -111.03 146.05 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -124.72 165.38 18.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -83.39 113.49 20.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 95.8 m-70 -135.43 168.56 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.33 122.17 45.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.2 t -118.04 142.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.66 122.93 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.562 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 25.6 t80 -95.18 117.43 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 17.5 tptm -100.94 157.44 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 28.0 mt-10 -32.99 -70.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -119.72 20.84 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.901 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -138.15 169.04 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.2 tt -160.89 131.93 5.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -148.77 157.28 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.5 p90 -138.52 164.45 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -140.51 171.03 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -64.28 -50.71 66.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -147.03 162.18 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -49.76 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -55.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.65 -60.61 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.41 151.54 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -44.23 0.53 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.299 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.23 -110.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -142.58 134.68 13.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.14 53.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.79 -40.3 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -165.6 113.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.63 142.57 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 3.8 mt -143.79 131.57 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LYS . 29.4 t30 -78.77 104.48 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 29.1 mt -41.09 -27.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.972 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 7.3 mmtp -53.13 124.07 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.61 -31.13 4.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 p -47.48 171.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -113.02 145.81 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -129.96 105.72 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.4 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 13.8 t -114.02 96.06 40.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.653 0.74 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.4 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.226 . . . . 0.0 112.351 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.66 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 64.4 t -46.96 115.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' SER . 33.5 t30 -124.58 64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 53.0 t -37.43 -30.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 9.3 t -44.46 -54.38 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -114.84 47.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLY . 98.8 mm-40 35.04 46.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 56.8 tttt -107.75 151.85 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 16.6 m-85 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.08 157.18 45.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.423 HG21 ' CD1' ' A' ' 79' ' ' LEU . 24.8 mt -130.61 101.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.975 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 15.0 ttpt -70.69 118.68 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.907 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . 0.423 ' CD1' HG21 ' A' ' 77' ' ' ILE . 9.8 mp -108.71 124.13 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.64 123.31 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 25.3 t -130.38 102.69 16.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.678 0.751 . . . . 0.0 111.119 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.52 30.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m -143.45 160.47 51.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.82 37.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -81.53 -44.18 17.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.57 -117.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.1 tpt -151.06 127.03 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -110.22 95.89 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.57 113.32 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.04 145.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -112.77 122.19 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.1 mt -117.78 116.4 26.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -111.26 105.47 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.7 160.16 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -83.08 -49.06 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.19 163.13 27.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.66 -29.18 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -53.73 -59.05 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -63.62 -40.8 97.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -54.31 -62.11 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.37 -52.69 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -50.72 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.562 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 38.5 m95 -55.68 -64.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 103' ' ' TRP . 26.8 tpp -35.41 -69.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.423 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -61.43 -51.82 55.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.01 -50.4 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' CD ' ' SD ' ' A' ' 104' ' ' MET . 42.8 mtp85 -53.78 -39.91 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.1 mt -67.96 -46.54 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.818 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -66.59 -38.05 86.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -102.39 10.52 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.61 -32.49 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -51.4 149.24 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 70.6 p -120.56 -178.95 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.6 mtm -76.44 -26.06 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.07 -29.62 44.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.08 159.79 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 m -81.21 -10.53 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 t -73.53 -19.97 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 21.6 t80 -53.3 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.9 t -50.29 -30.79 12.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -30.0 61.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -41.88 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.43 -39.52 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -69.08 -52.55 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.34 -38.47 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.38 -52.97 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.9 mt -52.58 -42.0 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -73.21 -60.13 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 130' ' ' ALA . 80.1 t80 -36.9 -54.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 59.3 mt -52.43 -46.35 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -56.79 -40.48 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.43 -44.36 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -44.47 -64.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -61.01 149.34 37.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -95.18 121.53 36.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -145.4 147.17 31.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.51 173.37 16.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -145.26 159.04 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -93.07 172.41 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 152.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 16.8 mm -45.53 112.36 1.61 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.71 . . . . 0.0 111.144 -179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.76 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.2 mt-10 -117.99 147.02 43.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -102.68 133.5 47.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.4 mmmm -118.48 109.04 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.9 m-20 -175.11 142.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.6 t-80 -101.71 112.2 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.96 -175.31 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.97 115.75 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.86 123.94 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.517 ' CB ' ' CE1' ' A' ' 28' ' ' TYR . 6.4 t80 -141.47 134.64 29.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.61 105.0 4.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.447 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.9 Cg_endo -69.75 1.63 4.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.464 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -64.59 154.14 37.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' ARG . 15.0 tptm -34.61 -46.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -83.07 142.81 31.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m 66.74 46.09 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -50.21 -50.62 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -47.68 147.0 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.93 -141.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.517 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 55.7 m-85 -70.43 122.34 19.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.504 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.4 ttm-85 -118.1 156.2 29.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.432 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 2.6 tt0 -65.27 113.79 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 84.9 m-70 -138.83 169.81 17.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -112.57 127.4 56.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.92 143.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -141.1 123.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.21 122.45 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.9 tptm -105.79 157.49 17.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.0 mt-10 -32.76 -67.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -122.7 18.93 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -135.01 168.41 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.1 tt -161.14 131.56 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.429 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 49.8 m -149.6 157.36 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -139.65 166.18 25.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -137.45 169.25 18.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -68.08 -56.34 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -128.64 142.89 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -47.03 -44.92 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 t0 -51.45 -59.52 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ASP . 28.5 mt-10 -34.81 -57.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.66 151.21 8.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.534 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.77 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.347 0.007 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.33 -103.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -146.54 125.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.483 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.7 129.37 17.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' PRO . 58.6 mt -36.57 -40.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.0 136.22 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -111.99 142.79 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -139.1 134.83 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 29.0 t30 -84.74 95.53 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . 0.438 HD11 ' CB ' ' A' ' 110' ' ' ALA . 21.6 mt -38.04 -45.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -52.13 111.76 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.34 -29.5 8.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 2.7 m -67.82 -176.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -119.75 159.52 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -132.6 130.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.406 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 60.5 t -132.21 99.84 15.93 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.406 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.1 Cg_endo -69.71 129.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.69 33.33 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.51 125.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 5.6 m-20 -117.45 79.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.457 ' CG2' HD21 ' A' ' 132' ' ' LEU . 71.9 t -40.62 -25.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.5 t -53.27 -45.66 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.01 23.35 27.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 49.79 47.33 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -125.8 118.58 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -118.46 121.64 40.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -128.5 103.53 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.435 ' HE2' ' CG ' ' A' ' 80' ' ' LEU . 0.1 OUTLIER -84.2 103.69 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.61 139.49 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.435 ' CG ' ' HE2' ' A' ' 78' ' ' LYS . 32.5 mt -128.77 101.77 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.467 ' CG1' ' HD2' ' A' ' 82' ' ' PRO . 92.3 t -107.24 138.53 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.467 ' HD2' ' CG1' ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.73 150.2 68.06 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -143.9 159.9 51.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.33 32.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -124.75 11.96 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.9 -98.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 3.8 ptm -173.14 158.75 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.865 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -107.72 108.11 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.83 111.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.8 mt -114.94 128.47 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.0 113.21 26.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -111.3 120.35 41.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.37 123.91 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.12 177.87 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -96.59 -42.55 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.94 175.73 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -52.23 -55.0 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.9 -43.18 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -49.94 -59.44 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.61 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -42.36 -67.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.9 m95 -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.6 tpp -36.73 -63.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.19 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.452 ' HA3' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.05 -47.0 91.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -47.37 77.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -59.29 -44.39 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 16.2 mt -63.89 -45.12 90.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.438 ' CB ' HD11 ' A' ' 59' ' ' LEU . . . -70.02 -29.07 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.786 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -37.99 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.06 -17.07 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.89 -37.81 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -50.06 158.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 44.1 p -133.44 161.48 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.839 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.505 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 63.2 mtm -52.73 -39.56 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.22 -26.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.58 148.97 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -64.71 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.4 t -44.8 -24.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.505 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 27.0 t80 -50.4 -65.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.43 HG21 ' N ' ' A' ' 123' ' ' SER . 2.4 t -50.53 -30.39 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.43 ' N ' HG21 ' A' ' 122' ' ' THR . 1.6 t -55.72 -30.01 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.902 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -48.78 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.11 -43.65 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -68.2 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.42 -45.36 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.09 -59.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.7 mt -41.18 -46.68 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.65 -61.14 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -38.51 -50.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.457 HD21 ' CG2' ' A' ' 70' ' ' VAL . 46.5 mt -47.82 -47.68 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.6 t -53.31 -46.0 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.0 -43.38 70.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -44.98 -53.87 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.83 148.21 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 81.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -179.901 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -83.52 139.97 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -115.77 166.24 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.53 165.99 38.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -169.51 109.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -53.39 166.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.2 -177.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 17.2 mm -38.42 103.28 0.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.67 0.747 . . . . 0.0 111.128 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 18.0 mt-10 -134.31 147.52 50.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 136.3 43.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.2 mmmt -121.01 108.95 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -173.74 142.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.8 t-80 -99.11 113.51 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.9 mt -88.94 -174.76 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -81.99 115.7 21.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mt -115.8 124.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.486 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 19.7 t80 -128.29 132.14 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -127.35 94.14 39.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.5 Cg_endo -69.79 -8.04 22.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 82.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -158.13 148.02 19.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mt -49.01 -64.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -137.88 129.59 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.547 ' CD2' ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -162.03 153.55 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 20.6 ttpp -119.93 97.71 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.89 -123.28 6.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.486 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 97.0 m-85 -98.58 161.06 13.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -135.17 163.38 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -85.63 98.35 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 11.0 m-70 -122.74 170.23 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -109.09 140.4 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.16 140.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.66 125.94 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.564 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 13.8 t80 -98.8 120.52 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 15.8 tptm -107.59 157.68 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 40.7 mt-10 -32.18 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -116.38 24.47 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.923 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.93 162.41 35.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 5.1 tt -154.38 138.23 16.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 5.2 t -149.67 158.74 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -141.14 143.89 34.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.51 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 2.4 m-85 -123.88 172.6 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -89.93 -37.47 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -142.78 129.98 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -48.34 -23.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.21 -35.46 76.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.428 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 pt-20 -71.51 -16.83 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.518 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -98.29 151.68 37.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.518 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.78 -49.46 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.309 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.93 -107.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -139.35 123.01 10.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.51 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.74 151.56 69.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.43 -44.66 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -163.76 105.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -80.23 143.79 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 146.81 37.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -104.3 106.87 17.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 mt -48.14 -24.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -66.55 104.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.94 24.52 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 16.8 p -112.23 179.31 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.07 153.17 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.2 t -142.15 120.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.7 t -123.96 98.79 38.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.81 110.6 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.87 35.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.64 123.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -127.1 88.12 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.81 -40.36 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -42.44 -36.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -124.14 37.81 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.0 mm-40 35.06 38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -94.43 141.51 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -144.61 109.17 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.81 154.06 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.69 90.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.77 106.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.1 tp -99.14 120.38 39.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.415 HD23 ' CG ' ' A' ' 89' ' ' GLU . 9.2 mt -128.75 98.07 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 67.7 t -100.28 134.05 21.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.819 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.75 142.28 47.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.321 179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 m -134.47 140.97 37.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -120.7 -15.75 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.92 -128.51 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.0 ttm -151.04 150.37 30.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.85 -179.939 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -119.67 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.415 ' CG ' HD23 ' A' ' 80' ' ' LEU . 18.4 tt0 -93.89 113.15 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.456 HG23 ' N ' ' A' ' 91' ' ' TYR . 64.1 mt -121.11 143.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.456 ' N ' HG23 ' A' ' 90' ' ' ILE . 61.4 m-85 -112.42 121.63 45.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.963 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.87 114.14 26.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -112.72 107.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 78.0 m -79.15 -177.68 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -89.01 -55.19 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.6 169.65 16.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 20.3 pt-20 -59.02 -31.7 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -48.73 -56.87 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.75 -36.27 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.425 ' CZ ' ' HG2' ' A' ' 104' ' ' MET . 60.2 t80 -55.69 -55.11 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.62 -56.89 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -48.88 -67.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.564 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 43.1 m95 -54.6 -65.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.425 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 1.9 tpp -36.93 -70.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.42 -33.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.419 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -71.18 -53.14 11.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.3 m -55.77 -38.04 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -66.98 -49.33 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 11.1 mt -57.06 -43.02 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.08 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 t -48.9 -46.22 42.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -90.51 -26.95 19.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.78 2.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.23 155.72 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 19.2 p -134.31 171.48 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.91 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.1 mtm -50.18 -32.97 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.48 -36.54 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.22 138.71 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -65.56 -20.08 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -66.46 -19.83 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.9 t80 -52.58 -58.17 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.841 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.463 HG23 ' N ' ' A' ' 123' ' ' SER . 1.8 t -59.79 -27.41 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.983 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.463 ' N ' HG23 ' A' ' 122' ' ' THR . 1.5 t -61.41 -31.1 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.26 -42.56 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.72 -41.9 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.1 -57.55 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.18 -39.71 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LEU . 60.9 mt -66.01 -64.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.6 mt -35.53 -47.63 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.64 -58.18 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.25 -50.39 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.411 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.9 mt -51.93 -46.67 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.08 -46.39 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.86 -40.85 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -47.36 -42.69 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -102.14 145.62 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 t -107.49 129.44 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 56.78 35.0 25.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.56 -170.07 54.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -169.87 108.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 74.78 40.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.38 169.31 11.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 63.5 mt -44.53 136.66 4.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.144 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -129.21 142.73 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.4 mtmt -137.73 115.17 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -172.67 138.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -91.3 110.9 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.86 -174.79 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -81.95 115.65 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.5 mt -119.78 127.71 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -144.34 133.25 22.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -128.13 90.84 46.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.18 6.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -55.37 -40.69 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.2 116.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 10.5 tp -157.0 151.12 24.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.957 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m -81.86 -61.44 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.448 ' N ' HD23 ' A' ' 25' ' ' LEU . 3.7 mm? -91.12 179.91 5.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.916 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -117.81 162.51 17.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 165.38 25.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -76.03 175.69 8.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -133.72 159.61 40.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -91.08 106.6 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -125.48 169.95 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.57 121.52 43.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.3 t -117.14 141.04 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.01 123.76 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.17 127.38 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.3 tptm -116.02 158.0 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 36' ' ' LYS . 14.9 mt-10 -29.32 -71.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -123.1 24.5 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.917 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.7 155.8 49.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -150.39 129.12 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -149.79 160.17 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.542 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 p90 -137.41 175.85 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 2.7 m-85 -145.91 174.49 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.466 ' HG3' ' CD1' ' A' ' 54' ' ' ILE . 19.1 mttt -92.93 -35.93 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.9 p -146.45 127.56 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -43.27 -23.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' SER . 20.0 m-20 -68.21 -45.11 74.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.408 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.1 pt-20 -60.77 -24.56 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -89.44 148.0 39.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.552 0.691 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.88 -51.07 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.321 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.38 -101.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -142.16 123.58 8.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.496 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.1 Cg_endo -69.77 139.38 40.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.466 ' CD1' ' HG3' ' A' ' 44' ' ' LYS . 93.0 mt -43.66 -43.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -166.42 134.12 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 14.2 pt20 -109.74 139.34 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.979 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.457 HD11 ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -139.26 133.65 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -89.35 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 12.2 mt -42.79 -32.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.89 95.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.58 -23.22 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 p -72.6 164.06 27.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.15 164.68 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.91 114.57 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.411 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.3 t -124.64 100.03 35.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.411 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.3 Cg_endo -69.75 147.29 62.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 179.889 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.81 19.14 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 46.8 t -50.96 114.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' VAL . 2.2 t-20 -124.67 74.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.2 t -37.56 -38.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' VAL . 41.0 t -34.81 -53.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -122.48 48.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' GLY . 12.9 mm-40 34.87 39.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.75 135.13 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 5.6 m-85 -145.44 112.29 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.2 t -137.54 146.62 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.46 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 35.0 tttt -84.32 100.03 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.878 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.9 tp -88.22 142.23 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -133.49 114.18 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.887 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 15.0 t -122.96 102.89 37.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.138 179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.47 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -145.16 159.67 48.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.46 8.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.95 -39.08 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.89 -103.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.51 128.94 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 m -112.24 80.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.57 117.52 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.46 144.83 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -107.46 129.47 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.2 114.18 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -111.71 126.1 54.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.5 m -95.24 153.24 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.21 -53.66 34.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.76 174.28 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -69.24 -28.75 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' N ' ' OE2' ' A' ' 97' ' ' GLU . 22.8 mm-40 -55.97 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -54.26 -40.98 68.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.39 -48.89 77.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.43 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -51.35 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' MET . 41.4 m95 -54.37 -64.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 23.7 tpp -36.38 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . 0.402 ' HB2' ' CB ' ' A' ' 124' ' ' GLU . . . -44.33 -39.78 4.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -59.36 -55.54 30.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.5 m -58.89 -30.77 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -69.95 -42.48 73.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 12.7 mt -68.66 -55.97 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.42 -27.25 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -57.29 -33.97 68.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -105.82 -2.04 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.93 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.9 150.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 3.6 p -125.72 160.25 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.413 ' O ' ' C ' ' A' ' 117' ' ' ALA . 8.0 ttm -42.54 -43.96 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' MET . . . -36.3 -36.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.79 136.73 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.0 t -58.27 -34.4 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' TYR . 3.6 m -48.42 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.403 ' C ' ' O ' ' A' ' 120' ' ' SER . 23.8 t80 -38.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.427 HG23 ' N ' ' A' ' 123' ' ' SER . 2.4 t -56.65 -33.02 65.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.982 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.427 ' N ' HG23 ' A' ' 122' ' ' THR . 3.9 t -54.91 -32.38 61.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . 0.402 ' CB ' ' HB2' ' A' ' 105' ' ' ALA . 30.5 mm-40 -78.44 -44.5 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 71.2 t -52.86 -43.54 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.14 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -69.05 -57.31 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.71 -40.09 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.36 -56.0 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.469 HD13 ' N ' ' A' ' 129' ' ' LEU . 1.6 mp -50.45 -36.65 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.49 -64.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -42.2 -43.99 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 71.9 mt -55.98 -48.63 75.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t -61.14 -35.45 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.7 mt -59.69 -26.58 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.76 -63.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.417 ' C ' ' HD3' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -65.56 161.62 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.892 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -40.97 129.23 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 m -89.7 -44.42 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.88 -151.65 10.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -129.14 155.14 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -141.67 150.65 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.9 148.47 4.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.8 mm -39.68 105.52 0.36 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.718 . . . . 0.0 111.106 -179.952 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 114.58 3.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.315 179.887 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.4 mt-10 -129.29 154.3 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.972 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -107.99 145.48 33.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 45.6 mmtt -131.24 105.94 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.9 m-20 -173.28 142.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.2 t-80 -103.78 113.74 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.21 -175.27 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -82.26 115.77 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -116.08 120.77 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.568 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 51.6 t80 -122.82 133.0 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 16.5 mmm180 -132.98 91.0 30.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.965 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.568 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.4 Cg_endo -69.71 2.5 3.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -80.78 -39.49 26.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.431 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -70.25 138.39 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.455 ' HG ' ' N ' ' A' ' 24' ' ' THR . 1.1 pt? -55.42 -176.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 14.2 t 35.81 32.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.45 ' N ' ' O ' ' A' ' 23' ' ' LEU . 0.2 OUTLIER -41.14 101.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.88 -62.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.37 33.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -65.3 158.61 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.915 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -138.58 145.63 40.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.1 87.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 23.6 m170 -109.27 164.62 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -111.51 123.27 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 t -117.14 151.44 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 98.3 t -147.23 122.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.911 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.445 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.6 t80 -95.24 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.2 tptt -98.15 157.38 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.6 mm-40 -33.16 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.7 p -116.44 22.34 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -140.83 169.22 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.2 tt -159.49 134.56 8.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -149.08 148.25 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -132.43 165.35 24.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.453 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 1.1 m-85 -142.41 169.4 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -79.13 -37.68 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 m -136.07 138.48 42.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.62 -43.87 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.46 -53.23 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.93 -63.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.519 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -48.28 152.81 1.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.519 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.76 -45.75 0.4 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.3 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.53 -99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.3 122.88 18.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.453 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.77 117.96 5.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' PRO . 86.8 mt -34.48 -47.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -161.98 107.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -86.6 141.05 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 14.8 mt -143.11 132.07 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.984 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -80.26 93.19 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 17.2 mt -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.941 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.453 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -66.86 97.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.66 6.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -75.57 -175.68 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.83 157.21 20.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.8 t -136.04 129.31 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.413 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 21.6 t -134.52 99.91 12.76 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.413 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.78 127.34 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -121.01 78.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 19.5 t -103.19 123.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.3 t-20 -120.24 73.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' SER . 85.8 t -36.65 -42.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' VAL . 4.6 m -36.17 -47.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -125.06 42.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' GLY . 21.7 mm100 36.6 48.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.385 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -97.48 117.21 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.403 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 45.6 m-85 -126.71 93.33 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.0 m -121.46 145.9 47.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.09 107.66 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.466 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 35.7 tttp -81.98 106.43 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 11.5 tp -97.63 131.08 44.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.894 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.466 ' CD2' ' HG2' ' A' ' 78' ' ' LYS . 4.1 mm? -126.24 109.75 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 17.9 t -120.18 121.49 29.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 111.142 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.38 32.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.379 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -141.26 144.21 33.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -88.59 -24.43 22.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.68 -107.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.42 ' CE ' HD13 ' A' ' 80' ' ' LEU . 8.8 tpt -149.68 139.93 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.948 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -116.52 84.21 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -99.36 111.39 23.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.406 ' CG2' HD22 ' A' ' 92' ' ' LEU . 3.5 mp -110.35 143.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 179.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.63 112.86 20.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . 0.406 HD22 ' CG2' ' A' ' 90' ' ' ILE . 3.9 mt -109.03 119.59 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.939 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -111.26 113.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.9 166.98 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -87.86 -50.77 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.81 159.01 37.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.403 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 14.4 pt-20 -58.51 -31.2 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -52.08 -49.02 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -74.13 -45.56 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -50.53 -47.68 57.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -57.9 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -47.23 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.445 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 52.8 m95 -53.16 -66.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' TRP . 5.2 tpp -37.57 -71.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.84 -40.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.47 74.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.95 -34.4 71.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -68.5 -39.43 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ARG . 93.6 mt -56.01 -58.84 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.77 74.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.8 t -45.47 -40.6 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.94 -18.51 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.453 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 125.1 -30.31 4.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 109' ' ' LEU . 8.6 ptm180 -70.16 155.72 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 1.3 p -123.87 174.29 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.9 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 118' ' ' ASP . 76.1 mtm -55.21 -32.98 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' MET . 7.4 t70 -81.29 127.87 33.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.9 p -51.87 -35.31 44.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.762 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 123' ' ' SER . 9.5 t -50.2 -32.94 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.8 -66.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.2 t -48.42 -28.01 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 120' ' ' SER . 1.8 t -58.75 -34.77 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.17 -42.19 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.51 -39.83 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.88 -54.86 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.29 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.33 -64.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.93 -37.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.85 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.696 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 31.4 t80 -42.48 -57.95 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 95.8 mt -47.11 -44.5 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 t -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.04 -42.92 69.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.696 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 16.3 mm-40 -43.9 -50.59 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.422 ' NH1' ' HB3' ' A' ' 136' ' ' ARG . 14.7 mtp-105 -39.32 157.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -53.97 146.16 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -140.23 161.96 36.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 134.02 42.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -55.0 86.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' GLY . 48.1 t -76.54 105.4 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.8 -124.99 7.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.4 125.22 91.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -120.51 143.75 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -109.54 135.2 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -120.1 109.56 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -175.05 142.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.5 t-80 -100.55 112.25 24.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.68 -174.92 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -81.97 115.86 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -117.38 126.35 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.564 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 28.9 t80 -150.91 133.22 15.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -130.03 83.44 63.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.564 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.6 Cg_endo -69.76 -28.85 24.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.07 -54.17 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -106.07 118.38 36.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 3.6 mp -60.79 98.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.906 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -125.63 -56.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.97 170.23 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -80.66 -47.51 13.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' TYR . . . -160.37 172.78 36.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.546 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 58.6 m-85 -37.17 148.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtp85 -136.24 160.35 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -70.28 93.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 46.7 m170 -119.31 169.57 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -110.07 138.32 46.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.92 151.24 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -145.83 122.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 17.7 t80 -95.18 119.5 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.0 tptt -104.62 157.37 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.458 ' C ' ' O ' ' A' ' 36' ' ' LYS . 45.7 mt-10 -33.21 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.5 22.53 12.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.893 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -139.48 167.79 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 2.0 tt -159.76 133.74 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -142.18 154.53 44.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.438 ' CD2' HD12 ' A' ' 54' ' ' ILE . 2.3 p90 -141.02 138.63 33.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.861 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -123.16 165.23 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -73.73 -40.69 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.7 p -141.34 144.64 34.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -53.98 -42.48 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -48.14 -51.45 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.59 -53.92 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.493 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.52 132.16 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.699 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.493 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.74 -46.79 0.34 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.352 -0.048 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.19 -100.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -148.12 113.19 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.542 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.8 128.36 15.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.438 HD12 ' CD2' ' A' ' 42' ' ' TYR . 73.7 mt -34.11 -40.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 0.2 OUTLIER -174.97 114.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -91.64 138.66 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.467 ' N ' HD23 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -144.76 145.13 31.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.463 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 4.1 t30 -90.82 113.93 26.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.22 -42.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.463 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 5.1 ttpm? -57.45 107.56 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.99 -18.9 9.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.4 p -87.03 -175.62 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.946 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -124.79 162.42 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . 0.405 ' O ' ' CG1' ' A' ' 64' ' ' VAL . 12.4 p -144.47 114.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.4 t -110.83 123.11 36.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.57 4.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.82 31.97 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.47 148.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -134.45 96.7 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.63 -33.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -42.57 -45.59 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.77 32.71 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 44.13 46.18 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -114.44 153.24 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -153.56 120.04 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -132.36 146.98 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.22 96.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -75.02 98.99 3.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.16 128.93 40.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 14.7 mt -119.89 104.81 10.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 73.8 t -106.61 125.62 32.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.123 179.858 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 135.96 31.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 p -131.94 142.56 45.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -117.97 -2.97 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.41 -102.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.0 ttm -166.54 144.36 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.876 -179.94 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -113.24 81.4 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -89.78 118.77 29.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.01 142.34 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -110.82 116.35 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -115.1 119.53 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -109.51 132.58 54.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -105.41 148.44 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.39 -57.21 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -129.63 178.62 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.04 -32.76 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -48.88 -54.31 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -69.48 -44.8 70.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -49.37 -59.69 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.6 -42.64 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -63.06 -67.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 30.4 m95 -55.71 -59.86 4.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.2 tpp -44.62 -64.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.9 -35.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.06 -53.42 14.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.4 m -54.05 -35.85 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -68.7 -37.08 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.407 ' C ' ' O ' ' A' ' 114' ' ' ARG . 21.9 mt -69.38 -51.57 35.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.4 t -47.23 -43.06 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -94.54 -30.59 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.06 -25.11 2.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' LEU . 96.0 mtt180 -65.51 152.78 43.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.7 p -134.09 162.3 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.93 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.412 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 49.0 mtm -42.05 -34.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.41 -42.16 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.9 147.02 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.2 p -74.82 -2.37 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -79.76 -19.19 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.412 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 10.4 t80 -50.88 -48.31 60.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 t -66.31 -31.58 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t -56.4 -25.04 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 27.3 mt-10 -86.31 -40.22 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.52 -38.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -72.73 -61.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.31 -42.22 14.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 60.3 mt -64.44 -58.18 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.3 mt -46.61 -43.5 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.45 -64.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 130' ' ' ALA . 53.3 t80 -37.25 -51.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.2 mt -50.59 -47.84 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -54.95 -47.82 73.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.47 -38.83 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -49.57 -51.66 35.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -78.71 151.08 32.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -133.42 173.12 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -129.18 171.25 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.28 -131.06 6.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -113.36 82.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -108.95 159.71 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -130.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -61.05 126.66 86.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.14 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -136.91 138.91 41.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.36 143.55 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.4 mmmt -131.77 105.78 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -171.07 147.29 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.4 t-80 -103.7 110.4 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.81 -174.57 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.409 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 11.6 mmp_? -81.82 115.6 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.7 mt -114.58 124.41 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 12.4 t80 -133.79 132.07 40.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -129.1 90.91 43.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.492 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.78 2.82 3.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -66.3 -48.28 70.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.409 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -63.89 152.51 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 tp -71.54 -53.25 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -59.28 117.67 5.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.48 124.36 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -130.43 -51.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.23 -92.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.409 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 42.1 m-85 -138.4 140.61 39.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.536 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 5.7 ttp180 -128.5 156.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.4 97.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.7 m170 -122.51 169.81 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -114.83 127.99 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 92.6 t -121.92 152.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.962 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 97.0 t -149.27 126.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.561 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.2 t80 -95.27 128.31 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.1 tptp -110.53 157.82 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' LYS . 30.3 mt-10 -30.9 -61.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.1 p -130.52 14.4 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.8 163.78 22.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.8 tt -154.02 131.82 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.98 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -149.37 169.96 19.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -152.32 167.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.575 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.16 160.02 41.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 42.1 mtmt -55.91 -34.7 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -154.67 153.26 31.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -58.01 -38.65 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -52.94 63.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -41.91 -53.61 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.533 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -58.88 150.92 57.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.533 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.72 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.321 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.25 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' PRO . 19.2 t70 -150.15 122.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 132.84 24.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 41.5 mt -50.24 -36.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . 0.465 ' OE1' ' CD1' ' A' ' 57' ' ' LEU . 4.5 tm0? -175.0 139.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -125.09 140.4 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.465 ' CD1' ' OE1' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -138.64 146.58 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -86.73 105.86 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 57.8 mt -53.85 -21.07 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 99.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -35.04 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -52.96 177.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -116.04 154.93 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.32 120.15 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 16.5 t -122.96 94.77 46.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.716 . . . . 0.0 111.159 179.905 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 102.75 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.98 34.61 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 6.7 m -73.36 146.11 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -130.7 88.52 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.8 -37.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -46.3 -41.4 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.59 32.37 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 40.26 44.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 39.3 tttt -117.06 146.81 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -146.34 121.53 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.23 149.05 50.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -128.64 94.42 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -74.42 113.33 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.4 tp -98.13 109.02 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.91 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.22 115.28 30.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.34 116.31 37.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 139.16 39.66 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -139.12 147.34 53.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.683 0.754 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.85 37.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -92.88 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.55 -134.91 2.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.57 130.23 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 m -124.67 118.0 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CE2' ' A' ' 91' ' ' TYR . 1.8 pp20? -117.13 156.5 27.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.0 mt -140.5 123.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . 0.589 ' CE2' ' OE2' ' A' ' 89' ' ' GLU . 39.0 m-85 -97.64 124.02 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.9 mt -123.16 115.44 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -109.76 114.12 27.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.0 m -80.2 174.88 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -92.41 -53.05 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.03 168.49 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.92 -29.67 67.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -55.79 -49.8 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -71.44 -46.63 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 7.4 t80 -48.53 -57.12 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -41.76 -63.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.561 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 65.7 m95 -61.41 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 103' ' ' TRP . 12.4 tpp -37.72 -66.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.63 -36.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.18 -55.52 15.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -56.58 -40.45 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.83 -32.99 68.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.5 mt -73.45 -56.06 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.57 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -43.33 -48.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -89.46 -8.92 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.11 -8.1 27.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.49 149.71 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 63.3 p -101.55 164.9 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.945 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 16.3 ttp -78.73 -20.19 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.81 80.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -54.28 142.0 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.6 m -54.58 -36.86 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.795 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 t -46.03 -29.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 8.0 t80 -45.89 -53.88 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.7 t -57.5 -35.94 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.8 t -50.15 -33.17 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.06 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.5 t -45.43 -40.23 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.38 -62.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.1 -36.06 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.0 mt -70.17 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 35.8 mt -43.26 -49.49 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 51.7 t80 -38.17 -51.19 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.85 -51.89 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -54.02 -45.33 71.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 53.7 mt -50.09 -45.76 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.91 -59.39 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -74.25 175.85 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 59.84 44.01 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -109.95 115.46 29.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.85 79.42 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -102.73 86.97 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -54.25 -47.81 71.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.13 -153.51 7.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 30.1 mm -42.08 103.43 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.134 180.0 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 106.47 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.311 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 8.0 mt-10 -122.49 158.82 28.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.959 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.7 mt -106.16 153.53 21.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 14.5 mmtp -138.01 106.52 5.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.8 148.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.7 t-80 -104.41 113.57 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -88.01 -174.99 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.436 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 64.6 mmt-85 -82.05 115.69 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.9 127.31 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.456 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 27.2 t80 -138.89 136.02 35.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -134.12 86.95 35.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . 53.7 Cg_endo -69.8 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 17.7 tpt180 -57.72 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' PRO . 23.8 mmtm 60.41 25.35 14.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.411 HD21 ' C ' ' A' ' 22' ' ' LYS . 3.7 mm? -122.31 134.78 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.12 89.77 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.09 -44.43 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tptm 70.0 46.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . . . 157.85 -128.55 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 27' ' ' GLY . 45.7 m-85 -155.21 153.47 30.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.952 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 31.5 mtm180 -101.37 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.44 91.58 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 9.1 m170 -117.26 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -109.85 130.83 55.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' C ' HG23 ' A' ' 34' ' ' VAL . 16.2 t -122.4 145.77 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 33' ' ' VAL . 63.4 t -139.57 122.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.558 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 24.5 t80 -95.23 127.35 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 14.8 tptm -113.1 157.49 21.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 16.0 mt-10 -32.44 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -117.01 24.65 11.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 8.1 m -141.75 168.14 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.997 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.409 HD23 ' N ' ' A' ' 41' ' ' SER . 2.2 tt -155.38 139.53 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.409 ' N ' HD23 ' A' ' 40' ' ' LEU . 75.6 m -149.35 156.7 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -152.16 152.1 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -128.21 160.05 33.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -60.37 -36.48 78.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -149.14 135.48 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -46.95 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -53.53 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -44.59 -58.05 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.541 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.95 151.2 4.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.541 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.73 -48.28 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.329 -0.033 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.49 -102.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -147.32 124.9 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.93 29.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -43.78 -53.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 4.9 mt-30 -146.61 109.32 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.46 122.02 34.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.99 153.63 44.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.981 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -98.47 106.65 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -38.45 -41.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -42.54 120.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.5 -36.54 4.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 11.1 p -61.49 173.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -115.71 151.0 35.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.5 p -134.17 120.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -119.69 125.93 27.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -127.21 33.65 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.3 m -85.78 146.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -132.57 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -37.17 -43.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 m -39.9 -48.11 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -109.01 40.52 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' GLY . 18.5 mm-40 34.84 52.4 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 32.9 ttpt -122.55 153.88 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 1.5 m-85 -158.26 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.78 141.21 51.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -111.7 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.431 ' CE ' HD11 ' A' ' 80' ' ' LEU . 48.1 tttt -72.41 103.43 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.816 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.6 tp -98.72 133.14 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.431 HD11 ' CE ' ' A' ' 78' ' ' LYS . 10.1 mt -134.64 98.92 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.888 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 59.8 t -98.98 122.21 53.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.833 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 147.73 63.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.1 m -151.52 143.01 15.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.42 8.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.64 -24.1 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.41 -136.19 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 9.5 tpt -136.46 128.79 30.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -102.99 98.19 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -104.11 117.37 34.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.0 mt -122.48 135.49 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.1 115.51 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.5 mt -112.13 122.48 47.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -122.24 124.41 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 81.6 m -92.46 169.69 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.49 -41.13 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -132.29 176.2 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.456 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.3 OUTLIER -73.21 -29.3 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.456 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 18.4 mm-40 -55.33 -61.82 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.18 -37.54 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 6.1 t80 -59.03 -67.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.847 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.08 -48.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -52.89 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.558 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 57.0 m95 -55.88 -56.71 17.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.2 tpp -41.54 -64.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.62 -30.77 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.24 -52.55 26.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 62.8 m -61.6 -37.29 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.32 -37.93 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.45 ' CD1' ' HB2' ' A' ' 121' ' ' TYR . 56.4 mt -70.2 -54.16 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.47 90.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 t -40.75 -42.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -96.76 -22.32 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 -36.62 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 75.5 mtm180 -49.48 160.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.873 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 21.0 p -134.27 -175.01 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 42.4 mtm -83.38 18.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.25 13.94 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -94.4 27.15 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.7 t 38.43 31.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 16.8 m -134.02 -33.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.45 ' HB2' ' CD1' ' A' ' 109' ' ' LEU . 3.7 t80 -38.19 -61.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -49.59 -34.22 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' SER . 1.5 t -53.75 -38.12 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.39 -53.92 12.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -43.46 -42.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.54 -58.11 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.44 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' LEU . 71.1 mt -55.41 -62.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 47.7 mt -37.06 -43.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.65 -61.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -38.92 -47.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.3 -47.44 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -52.84 -35.1 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.48 -42.97 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -46.09 -63.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.13 146.62 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t 51.15 46.4 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -121.52 111.36 17.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.59 149.41 8.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -152.7 150.42 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -122.53 172.49 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -61.86 177.21 5.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.481 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.406 ' C ' ' O ' ' A' ' 7' ' ' GLY . 35.3 mm -36.37 102.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 111.18 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 31.2 mt-10 -120.78 138.1 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -95.95 137.2 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 34.1 mmtm -122.73 109.0 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.4 m-20 -175.01 144.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.11 114.76 29.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.3 mt -89.7 -174.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.92 115.65 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -114.33 127.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -150.65 136.18 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -129.81 129.44 23.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -44.54 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.27 167.55 17.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tp 63.96 52.38 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.42 ' CG2' ' O ' ' A' ' 24' ' ' THR . 9.7 t -128.67 84.53 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.15 -56.82 13.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -117.66 -60.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.52 -88.7 0.33 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 51.8 m-85 -64.46 130.63 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -146.27 168.99 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -79.87 106.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 14.5 m-70 -130.32 170.21 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -108.16 131.01 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.69 148.23 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.52 123.48 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.0 t80 -95.04 133.17 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.2 tptm -119.13 157.67 27.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 38.8 mt-10 -32.8 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -115.5 24.53 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' THR . . . . . 0.432 ' CG2' ' N ' ' A' ' 40' ' ' LEU . 30.0 m -141.79 166.43 24.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.432 ' N ' ' CG2' ' A' ' 39' ' ' THR . 5.6 tt -162.03 134.6 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 54.6 m -149.39 157.08 43.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.647 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.0 p90 -133.34 172.23 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -149.26 162.15 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.2 ptmm? -94.76 -34.74 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -124.59 113.92 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 5.8 tm0? -48.04 -19.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.27 -34.88 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.425 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -58.98 -28.23 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.565 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -100.83 163.79 17.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.688 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.592 ' O ' ' C ' ' A' ' 51' ' ' GLY . 53.7 Cg_endo -69.75 -0.25 6.07 Favored 'Cis proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.343 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -19.96 -92.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.22 128.73 7.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.568 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.77 153.56 68.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 92.3 mt -61.4 -44.45 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tt0 -160.24 108.89 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -86.41 138.79 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.3 mt -141.18 129.23 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 60' ' ' LYS . 30.4 t-20 -82.46 108.96 16.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.0 mt -51.76 -35.28 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.448 ' CB ' ' OD1' ' A' ' 58' ' ' ASN . 0.5 OUTLIER -61.18 99.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -27.42 5.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.89 -179.29 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.66 154.17 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -131.55 119.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.85 94.75 42.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 119.36 6.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.38 82.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.37 125.57 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -119.11 73.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.95 -35.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -42.92 -41.82 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -123.59 40.96 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 72' ' ' GLY . 33.7 mm-40 36.82 47.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -103.41 153.02 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.461 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 48.8 m-85 -156.02 106.82 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -123.97 144.03 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -121.82 104.69 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 26.3 tttt -78.97 139.14 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.842 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 6.2 mp -124.85 110.85 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.9 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.21 97.12 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 41.1 t -105.48 102.83 39.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 0.0 111.109 179.844 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.11 24.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 m -127.57 154.61 77.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -113.15 -35.13 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.29 -133.13 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.3 tpt -148.1 124.07 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 t -104.28 92.51 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 6.5 pt-20 -101.26 112.03 24.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.7 mt -114.31 148.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -119.12 125.09 48.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -122.32 119.5 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 86.9 m -89.5 173.96 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.42 -54.94 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -130.85 172.81 11.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.461 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 8.5 pt-20 -62.41 -33.1 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -47.29 -58.6 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -68.27 -48.59 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . 0.405 ' CE1' ' HB2' ' A' ' 104' ' ' MET . 4.9 t80 -46.27 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -37.96 -58.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -44.83 -64.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.6 m95 -56.65 -63.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.405 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 8.7 tpp -38.45 -69.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.09 -33.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.071 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.84 -52.58 14.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.6 m -55.59 -40.9 72.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -61.01 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 18.4 mt -61.99 -52.89 62.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.23 83.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.8 t -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.441 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 140.46 -26.34 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -56.0 150.12 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 65.0 p -118.1 155.79 29.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 26.2 mtm -50.22 -32.74 17.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.93 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -67.73 141.24 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.7 m -65.84 -5.4 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -80.62 -11.86 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 25.9 t80 -58.92 -72.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.86 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.428 HG23 ' N ' ' A' ' 123' ' ' SER . 1.5 t -52.6 -32.51 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.19 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.428 ' N ' HG23 ' A' ' 122' ' ' THR . 1.1 t -54.1 -28.46 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -47.86 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.15 -39.17 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -72.66 -53.18 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.52 -34.68 50.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 84.2 mt -72.32 -54.57 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.95 -48.76 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.46 -57.4 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 71.7 t80 -41.5 -46.38 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.928 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 90.4 mt -57.97 -52.15 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.7 t -53.46 -44.43 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 60.2 mt -45.46 -33.18 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.33 -40.56 77.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -54.94 -175.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -51.85 122.56 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -149.39 161.57 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -168.53 41.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 p -163.85 167.06 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -157.2 129.2 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.87 107.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 37.6 mm -42.95 103.11 0.3 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.136 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 102.74 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 40.3 mt-10 -118.6 150.67 39.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -107.78 139.68 41.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.0 mmtp -127.5 108.17 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-20 -173.58 145.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 7.7 t-80 -101.49 113.68 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.5 mt -89.5 -174.92 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -81.97 115.7 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 mt -118.24 131.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.575 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 78.2 t80 -137.88 131.74 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -134.99 92.78 18.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.575 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.5 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -175.23 -176.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.45 ' O ' ' N ' ' A' ' 24' ' ' THR . 0.2 OUTLIER -42.55 159.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -37.21 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.45 ' N ' ' O ' ' A' ' 22' ' ' LYS . 11.6 t -166.19 -176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.99 156.58 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.415 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -165.51 -178.91 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.93 150.95 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.515 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 86.5 m-85 -53.56 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -161.06 175.97 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.442 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 60.3 tt0 -101.95 83.09 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 17.5 m-70 -103.25 165.1 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.458 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 53.1 t-105 -101.67 127.84 48.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 t -120.52 136.48 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.37 118.94 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.499 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.25 134.6 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.477 ' O ' ' C ' ' A' ' 37' ' ' GLU . 15.2 tptm -122.15 157.88 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' LYS . 41.6 mt-10 -31.39 -71.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -119.03 20.88 12.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.948 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.61 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 7.2 tt -151.0 122.28 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.73 160.63 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . 0.507 ' CE1' ' HB ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.09 155.7 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -138.56 174.52 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.435 ' CD ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -64.46 -20.9 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -174.4 163.0 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.458 ' N ' ' HB2' ' A' ' 32' ' ' TRP . 32.7 tt0 -63.6 -45.32 90.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.1 m-20 -53.26 -59.2 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ASP . 36.6 mm-40 -35.57 -51.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.485 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.25 161.89 0.71 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.485 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.8 -45.4 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.29 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.09 -101.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -164.49 133.05 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.728 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.592 ' N ' ' CE2' ' A' ' 43' ' ' TYR . 53.7 Cg_endo -69.79 129.58 17.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.507 ' HB ' ' CE1' ' A' ' 42' ' ' TYR . 19.6 mt -33.25 -44.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -175.31 136.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.451 ' OE1' ' N ' ' A' ' 57' ' ' LEU . 1.4 pp0? -109.21 167.02 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.451 ' N ' ' OE1' ' A' ' 56' ' ' GLN . 1.3 mt -149.49 110.62 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.29 93.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -48.94 -19.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.84 82.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.71 12.4 6.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.05 176.61 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.13 141.84 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -117.45 123.0 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.407 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 94.8 t -124.96 96.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.407 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.73 118.89 5.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -115.67 32.71 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.89 143.71 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -131.9 85.13 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.3 t -43.97 -36.56 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' VAL . 73.5 m -35.51 -42.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -128.63 48.01 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mm-40 36.58 45.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.79 134.25 51.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -137.47 117.91 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.15 151.59 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.28 101.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 9.8 ttpt -82.14 123.99 29.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.855 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -107.53 108.96 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 8.1 tp -108.98 106.4 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.917 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . 0.41 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 73.4 t -111.48 102.81 54.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . 0.41 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -158.2 152.46 20.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.11 6.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -91.43 -42.05 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' MET . . . 157.25 119.63 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' GLY . 8.5 tpt -34.52 136.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 m -128.78 107.4 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 3.9 pt-20 -113.88 116.71 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 85.3 mt -112.6 138.6 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.959 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -102.69 119.19 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.0 mt -120.01 114.3 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 94' ' ' CYS . 13.9 tpt85 -108.43 126.05 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 78.2 m -93.92 161.5 14.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.38 -51.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -32.87 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -51.58 -50.09 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -72.11 -47.62 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.29 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.96 -53.67 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -49.31 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.499 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 51.5 m95 -56.76 -63.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 tpp -39.56 -68.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.14 -38.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.69 -56.89 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 97.9 m -54.77 -36.5 64.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 -63.87 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.67 -48.92 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.84 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -47.26 -27.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -110.61 -15.03 13.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.31 -29.45 5.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -55.0 162.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 76.1 p -127.79 150.5 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 -179.929 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.9 ttm -46.23 -42.59 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.38 -39.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.16 140.49 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.7 t -64.64 -18.39 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.749 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.0 t -63.22 -26.83 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -49.49 -61.69 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.3 t -54.27 -34.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.969 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 t -55.91 -28.3 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 20.1 mt-10 -83.56 -35.15 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.82 -37.5 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.68 -53.99 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.59 -46.67 58.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 55.5 mt -59.26 -59.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.44 -45.38 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.63 -57.59 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -40.54 -58.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.5 mt -44.01 -47.24 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.2 t -54.26 -35.88 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.21 -35.02 74.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.3 -33.23 71.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -54.54 147.08 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -45.34 -50.63 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.54 167.49 11.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -115.97 33.19 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.812 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -142.19 170.66 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.05 -123.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.5 mt -61.98 133.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 95.78 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -117.6 139.61 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -103.77 149.08 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -136.45 105.87 6.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.4 m-20 -173.29 152.0 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.8 t-80 -111.2 114.61 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -90.43 -174.94 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.465 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 9.6 mpt_? -82.28 115.73 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -116.97 124.39 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -134.81 135.81 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -130.27 109.62 16.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.558 0.694 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -165.35 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 58.93 44.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -118.62 162.52 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 mp -93.19 -56.32 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.908 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -86.73 138.64 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.56 91.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -120.82 112.42 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.64 -155.77 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.465 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 72.3 m-85 -51.35 110.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.944 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . 0.413 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 5.6 tpm_? -108.28 150.06 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . 0.413 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 47.1 tt0 -61.94 95.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 5.4 m-70 -120.67 169.18 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.416 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 55.5 t-105 -112.79 136.37 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.46 146.3 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.5 t -141.22 127.13 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.553 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 16.1 t80 -98.44 121.5 40.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 55.0 tptt -108.45 157.51 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 7.3 mm-40 -32.68 -73.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.9 OUTLIER -117.79 23.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.897 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 14.0 m -139.97 168.21 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.97 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 4.9 tt -160.33 137.36 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 6.2 m -148.76 161.49 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -148.81 158.34 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -134.96 171.82 13.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 11.3 ptpt -74.28 -38.1 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -140.98 152.55 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.416 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.8 mp0 -63.3 -43.77 96.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.28 -52.41 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -42.27 -52.63 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.512 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.2 132.19 24.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.512 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.9 Cg_endo -69.7 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.393 -0.029 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.45 -99.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.85 124.77 3.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.406 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.408 HD13 ' C ' ' A' ' 43' ' ' TYR . 74.6 mt -49.92 -44.6 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -161.43 112.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 27.3 mt-30 -98.58 140.92 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.985 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 11.5 mt -147.96 157.93 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.989 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -99.1 109.3 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 19.0 mt -52.33 -29.6 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.459 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -68.39 88.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.03 -19.37 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -79.39 172.96 13.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.93 156.6 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.83 121.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . 0.414 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 87.3 t -126.94 98.21 31.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . 0.414 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.48 34.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 4.8 m -73.43 147.19 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 71' ' ' SER . 61.1 t-20 -133.77 92.03 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -53.59 -20.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 69' ' ' ASN . 5.8 t -54.88 -52.31 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.95 48.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' GLY . 55.5 mm-40 35.57 52.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -115.05 144.44 43.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -151.8 112.45 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.3 138.39 44.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.6 mt -109.62 117.73 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . 0.467 ' HE2' ' CD1' ' A' ' 80' ' ' LEU . 4.7 tmtt? -92.31 109.37 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -95.06 129.83 41.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . 0.467 ' CD1' ' HE2' ' A' ' 78' ' ' LYS . 7.4 tp -124.21 107.35 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 27.0 t -117.49 109.32 42.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.827 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 149.35 66.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' SER . . . . . 0.417 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 2.3 m -139.46 151.32 66.5 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.67 14.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -129.2 -30.49 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . 0.417 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 174.84 106.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.449 ' C ' ' SD ' ' A' ' 87' ' ' MET . 2.7 ppp? -50.28 166.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.413 ' N ' ' SD ' ' A' ' 87' ' ' MET . 1.2 t -132.94 111.21 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.1 118.5 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . 0.409 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.6 mp -112.71 141.17 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -116.25 106.56 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -105.83 122.38 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -112.19 127.4 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.7 m -96.68 166.73 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.91 -62.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -116.71 169.81 9.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -68.77 -27.28 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -56.63 -44.27 81.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.73 -47.51 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.4 t80 -50.11 -42.56 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.874 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.84 95.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -56.88 -55.28 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.553 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 46.4 m95 -66.08 -67.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 14.8 tpp -37.43 -63.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.46 -37.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.408 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -69.37 -56.18 9.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.0 m -52.49 -42.05 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.1 -32.27 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 17.4 mt -72.79 -55.4 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.14 94.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t -40.63 -44.04 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -90.95 -21.46 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.459 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 131.4 -34.05 2.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -54.25 163.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 81.5 p -134.57 157.5 46.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.3 mtm -49.36 -40.14 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.71 128.85 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 121' ' ' TYR . 50.6 m -47.44 -45.55 25.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.2 t -38.27 -28.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.3 t80 -47.56 -54.76 10.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 7.0 t -60.43 -31.24 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -57.05 -34.31 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -76.02 -44.03 41.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.8 -37.86 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -73.64 -58.02 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.32 -37.76 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.27 -58.92 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.36 -41.76 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -74.5 -61.58 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.414 ' C ' ' O ' ' A' ' 130' ' ' ALA . 77.7 t80 -37.11 -55.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.8 mt -47.49 -45.63 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.4 t -59.32 -41.35 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 36.7 mt -57.63 -43.43 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -50.51 -41.64 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -87.62 149.02 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -67.14 106.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -77.12 120.71 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.59 173.72 26.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -166.83 143.61 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -105.17 120.06 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.97 -173.85 22.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 42.0 mm -40.94 102.57 0.27 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 111.122 -179.989 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 114.97 3.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 12.0 mt-10 -136.24 148.45 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -105.87 134.72 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 1.6 mmmm -117.56 108.48 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.1 m-20 -174.95 143.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.1 t-80 -98.74 113.52 25.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.08 -175.09 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.562 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.1 tpm_? -82.11 116.13 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mt -118.81 127.36 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.556 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 5.4 t80 -145.45 132.04 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 29.5 mtp180 -133.42 107.09 12.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo -69.73 -24.11 30.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 17.8 ptt180 -81.71 81.03 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' LEU . 21.4 tptm -154.05 140.15 18.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -34.85 -60.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -94.83 147.8 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -83.24 92.57 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -115.62 152.63 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.1 -150.86 27.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.562 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 99.2 m-85 -68.66 148.93 49.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -134.11 178.28 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -98.1 101.05 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 10.4 m-70 -125.88 167.75 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.506 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 66.9 t-105 -106.57 139.81 40.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.89 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.3 t -143.66 123.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.569 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 14.3 t80 -95.54 132.41 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.472 ' O ' ' C ' ' A' ' 37' ' ' GLU . 17.0 tptm -115.92 157.83 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.9 mt-10 -31.87 -72.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.8 OUTLIER -117.65 22.5 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.19 165.06 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.1 tt -155.86 125.48 6.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 71.8 m -140.73 153.35 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -140.55 173.32 11.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.513 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -144.51 170.16 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . 0.467 ' N ' HD12 ' A' ' 54' ' ' ILE . 5.5 pttm -78.48 -37.23 43.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 m -132.7 137.6 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.506 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.3 tt0 -62.06 -27.68 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' CA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -49.45 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.538 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -38.08 151.89 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.538 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.73 -48.54 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.36 -0.023 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.03 -94.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' PRO . 7.5 p-10 -143.47 118.56 6.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.81 15.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . 0.467 HD12 ' N ' ' A' ' 44' ' ' LYS . 96.3 mt -41.67 -42.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -159.48 128.91 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.5 pt20 -111.17 131.53 55.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.902 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -140.44 128.24 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 39.0 t-20 -82.8 108.26 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.9 -39.55 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.438 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -49.34 96.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.69 21.94 6.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.9 p -107.84 -174.93 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -109.45 152.6 25.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.4 121.86 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.15 95.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.91 13.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -111.6 25.77 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.452 HG13 ' CD2' ' A' ' 75' ' ' PHE . 89.5 t -66.84 131.28 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' VAL . 24.3 m-20 -133.38 78.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ASN . 94.8 t -35.1 -36.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -41.09 -56.48 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.35 36.67 4.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 37.8 47.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -106.47 155.26 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.452 ' CD2' HG13 ' A' ' 68' ' ' VAL . 68.6 m-85 -153.27 105.19 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.24 140.14 52.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 40.4 mt -117.75 96.5 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -68.67 122.1 17.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -116.41 112.81 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.51 107.27 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 92.7 t -106.8 128.0 26.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 111.136 179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.72 26.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -137.84 140.17 28.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -0.84 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -119.15 -20.58 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.59 -143.9 7.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.5 ttm -138.16 135.36 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -108.65 81.78 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -94.13 115.99 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.91 150.52 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -113.77 109.88 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.97 114.18 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -110.62 100.76 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.1 m -70.73 167.94 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.19 -50.99 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -125.48 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.408 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 12.7 pt-20 -68.36 -28.29 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -55.0 -60.66 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -62.57 -44.2 96.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -49.92 -56.13 11.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -51.64 -66.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ALA . 78.7 mtt180 -35.57 -66.98 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.569 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 37.3 m95 -56.24 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.9 tpp -38.15 -66.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.82 -40.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.65 -56.5 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.1 m -51.92 -41.54 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.94 -39.69 94.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . 0.424 ' O ' ' N ' ' A' ' 114' ' ' ARG . 14.1 mt -66.84 -42.96 84.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.24 63.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -49.87 -47.28 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.18 -32.63 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.33 -23.28 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LEU . 94.3 mtt180 -60.15 152.84 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 80.9 p -125.9 149.56 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 28.4 mtm -43.88 -32.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.44 -39.92 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.64 163.89 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.7 m -79.88 -23.93 41.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 m -53.99 -34.07 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 27.7 t80 -38.68 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -52.88 -32.08 43.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 t -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -54.29 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.32 -38.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.39 -57.82 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.86 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.84 -62.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 23.3 mt -39.85 -47.1 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.82 -59.91 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 130' ' ' ALA . 78.6 t80 -36.4 -53.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.408 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 95.3 mt -44.18 -44.04 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 133' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.8 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.4 mt -49.76 -32.23 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -70.57 -42.78 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -45.76 171.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.918 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -170.4 146.11 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 p -143.22 134.15 25.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.91 124.61 6.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -111.29 125.86 54.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -63.31 110.66 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.18 173.37 23.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.416 HG21 ' CD ' ' A' ' 10' ' ' GLU . 47.7 mm -38.22 101.92 0.24 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.75 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.416 ' CD ' HG21 ' A' ' 8' ' ' ILE . 15.4 mt-10 -116.94 151.17 37.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.5 mt -101.19 140.73 35.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 27.5 mmtm -124.35 105.84 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.3 m-20 -174.49 142.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.5 111.93 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.04 -175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . 0.558 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 8.1 ttm180 -81.95 115.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -115.22 137.32 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.548 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.3 t80 -152.58 136.88 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 18.5 mtm105 -143.71 105.04 4.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.542 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.3 Cg_endo -69.75 -6.01 17.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -53.81 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -47.73 164.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -83.79 -54.06 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -76.81 130.51 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -48.86 107.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -99.32 -37.95 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 -102.48 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.558 ' CE2' ' HG2' ' A' ' 16' ' ' ARG . 17.6 m-85 -139.98 146.93 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.11 170.22 16.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.94 108.65 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 67.0 m-70 -131.64 169.68 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -111.98 128.44 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.404 ' C ' HG23 ' A' ' 34' ' ' VAL . 93.7 t -123.11 145.74 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . 0.404 HG23 ' C ' ' A' ' 33' ' ' VAL . 99.2 t -143.74 126.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.494 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 21.7 t80 -96.78 119.89 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.471 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.7 tptm -104.09 157.72 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 36' ' ' LYS . 24.9 mt-10 -32.4 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 1.2 p -115.0 24.47 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.9 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 1.4 m -143.23 166.35 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -179.94 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . 0.458 HD23 ' N ' ' A' ' 41' ' ' SER . 4.9 tt -159.11 124.65 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' SER . . . . . 0.458 ' N ' HD23 ' A' ' 40' ' ' LEU . 26.2 m -140.23 159.32 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -142.9 170.3 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -143.85 167.49 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -70.02 -18.49 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.6 t -163.57 149.81 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CD ' ' C ' ' A' ' 46' ' ' GLN . 5.9 tm0? -59.78 -39.88 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.08 -55.72 24.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -41.11 -52.8 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.501 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.53 133.26 6.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.501 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.4 Cg_endo -69.77 -39.42 1.34 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.321 -0.0 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.65 -97.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -158.18 122.37 2.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 123.86 10.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -39.99 -43.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 1.2 tt0 -166.85 107.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.967 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' C ' ' HG ' ' A' ' 57' ' ' LEU . 16.7 pt20 -93.35 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . 0.422 ' HG ' ' C ' ' A' ' 56' ' ' GLN . 3.0 mt -148.47 163.99 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -99.9 120.92 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 41.6 mt -67.97 -38.05 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.969 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.445 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -59.6 104.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.23 -21.16 8.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 p -79.85 -179.76 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.67 159.41 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.5 t -139.29 112.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 42.0 t -107.46 101.59 40.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.157 179.873 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 123.29 9.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.43 75.06 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.462 HG12 ' CD2' ' A' ' 132' ' ' LEU . 96.2 t -101.36 119.32 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' SER . 36.6 t30 -115.48 68.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -39.58 -28.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.0 t -44.94 -46.42 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.37 42.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 40.78 50.31 2.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.977 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -106.26 131.13 53.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -137.31 106.73 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 55.4 m -131.34 149.83 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.6 mt -117.92 125.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -102.73 108.58 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.9 tp -98.94 114.08 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.76 98.66 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.49 131.15 21.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 150.6 68.18 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -143.24 156.51 61.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -106.66 -40.8 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.45 -93.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 88' ' ' SER . 7.1 tpp -155.07 122.0 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' SER . . . . . 0.439 ' N ' ' SD ' ' A' ' 87' ' ' MET . 3.6 m -97.21 94.86 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 118.52 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.5 mt -107.0 137.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -107.78 125.06 50.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.3 mt -124.46 114.24 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -103.1 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 65.5 m -80.33 162.22 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -77.6 -61.27 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -121.94 179.9 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.411 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -69.97 -27.25 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . 0.411 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 15.8 mm-40 -58.04 -57.96 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -63.82 -35.04 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -59.21 -56.61 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.33 64.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -51.0 -63.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.494 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.0 m95 -60.52 -62.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 tpp -41.27 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.22 -36.22 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.4 -54.44 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.6 m -55.77 -39.85 71.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 25.0 mt -67.01 -52.9 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -61.81 -40.79 96.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -39.82 -32.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -105.73 -17.5 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . 122.36 -10.24 9.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -67.83 151.85 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.413 ' CG2' ' HB3' ' A' ' 37' ' ' GLU . 82.2 p -118.93 145.05 46.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.446 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.7 ttp -44.79 -36.62 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.79 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.82 134.93 57.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 58.0 m -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.8 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 120' ' ' SER . . . . . 0.441 ' O ' ' N ' ' A' ' 123' ' ' SER . 83.3 p -55.91 -34.42 65.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.446 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 8.7 t80 -36.24 -65.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.6 t -53.67 -32.77 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.441 ' N ' ' O ' ' A' ' 120' ' ' SER . 2.0 t -56.86 -28.01 61.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.67 -44.45 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.04 -35.47 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -76.51 -57.58 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.91 -36.78 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LEU . 63.1 mt -72.61 -67.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' ILE . 36.6 mt -36.24 -47.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.38 -61.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . 0.434 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 48.0 t80 -39.74 -45.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . 0.462 ' CD2' HG12 ' A' ' 68' ' ' VAL . 93.3 mt -49.8 -47.36 51.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -58.94 -47.46 84.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.4 mt -51.9 -47.71 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . 0.434 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 12.6 mm-40 -47.88 -46.6 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' THR . 15.0 mtp-105 -42.05 149.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 137' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 136' ' ' ARG . 85.4 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -48.71 -41.45 31.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -68.57 167.6 14.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.73 119.1 3.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -74.94 152.31 38.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -170.94 164.87 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -71.59 -158.44 3.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.451 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.46 HG23 ' CG ' ' A' ' 10' ' ' GLU . 43.0 mm -36.58 101.77 0.22 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.543 0.687 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 97.83 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLU . . . . . 0.46 ' CG ' HG23 ' A' ' 8' ' ' ILE . 28.8 mt-10 -117.56 150.86 38.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -104.03 131.42 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -117.05 109.63 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -174.68 149.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 5.3 t-80 -101.9 114.68 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.427 HD12 ' CE3' ' A' ' 103' ' ' TRP . 7.5 mt -89.65 -174.75 4.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -81.97 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.86 132.45 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.532 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 6.4 t80 -142.08 131.65 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ARG . . . . . 0.474 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -134.88 83.45 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' PRO . . . . . 0.526 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.2 Cg_endo -69.7 -170.95 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -175.29 123.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt 58.63 44.38 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' LEU . . . . . 0.412 HD11 ' N ' ' A' ' 23' ' ' LEU . 9.8 mp 62.13 35.89 15.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' THR . . . . . 0.455 HG21 ' N ' ' A' ' 25' ' ' LEU . 87.2 m -102.54 141.91 34.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' LEU . . . . . 0.455 ' N ' HG21 ' A' ' 24' ' ' THR . 0.4 OUTLIER -120.44 57.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -52.65 -25.67 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.406 ' N ' ' HG2' ' A' ' 26' ' ' LYS . . . 110.91 -172.82 15.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.532 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 26.9 m-85 -96.23 164.34 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.09 156.36 45.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -92.56 94.37 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 64.9 m170 -118.3 151.05 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' TYR . 54.3 t-105 -82.78 145.59 29.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.7 t -136.26 144.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.22 120.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' PHE . . . . . 0.563 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.5 t80 -95.18 127.87 41.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 22.4 tptt -110.57 157.45 19.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.1 mt-10 -32.77 -67.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 2.2 p -121.66 18.64 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.6 OUTLIER -136.48 169.64 17.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.938 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 6.8 tt -153.68 138.67 17.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 2.1 p -148.79 142.44 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -133.37 148.36 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' TYR . . . . . 0.523 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 1.3 m-85 -127.4 166.36 18.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -81.81 -33.0 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' ASP . 8.2 m -144.27 122.81 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -44.65 -22.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' SER . 39.9 m-20 -72.91 -40.04 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' GLU . . . . . 0.423 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -62.97 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . 0.529 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -88.07 147.2 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . 0.529 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.79 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.361 0.034 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.79 -98.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -148.35 117.83 4.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.731 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.523 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.71 144.86 55.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.38 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.69 -44.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -167.18 118.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -99.16 137.11 38.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -141.92 157.57 44.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -103.85 114.34 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 70.5 mt -63.49 -9.33 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' LYS . . . . . 0.416 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -71.89 100.38 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.32 21.95 9.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.3 p -105.1 -175.07 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.881 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.99 149.25 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.6 t -138.49 125.54 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.8 106.59 20.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.53 38.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.52 34.47 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.511 HG23 ' CD2' ' A' ' 75' ' ' PHE . 5.1 p -78.02 133.76 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -125.97 77.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.6 t -40.46 -28.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 t -49.79 -52.26 33.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.87 34.6 5.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 42.03 52.71 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 16.5 ttpt -126.69 137.53 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' PHE . . . . . 0.511 ' CD2' HG23 ' A' ' 68' ' ' VAL . 0.6 OUTLIER -138.83 123.39 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.6 t -136.92 162.11 34.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.08 106.02 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -79.15 107.14 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.1 tp -99.16 129.94 45.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.0 mt -133.67 102.45 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.814 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 96.4 t -109.21 133.68 20.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.127 179.861 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 147.33 62.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -144.03 147.14 36.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -9.63 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -107.05 -28.08 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.32 -123.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.4 ttm -142.26 137.14 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 -179.97 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -107.12 93.47 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -96.28 116.54 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.61 138.08 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -103.78 124.32 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.63 115.65 23.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -115.51 109.14 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.21 169.62 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -91.77 -39.23 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -143.17 163.95 31.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.31 -39.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.76 -61.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.6 -44.14 97.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -49.31 -61.59 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.35 -55.08 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -46.49 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' TRP . . . . . 0.563 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 47.2 m95 -60.56 -64.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' TRP . 6.4 tpp -34.94 -67.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.98 -36.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' GLY . . . . . 0.465 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -64.24 -55.43 23.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.5 m -53.52 -44.13 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -60.74 -51.8 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 14.8 mt -54.07 -43.04 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.48 -31.93 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -50.59 -29.3 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.23 -40.82 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.17 -7.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -74.3 149.87 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' THR . . . . . 0.425 ' CG2' ' HB3' ' A' ' 37' ' ' GLU . 52.7 p -114.65 149.04 37.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' MET . . . . . 0.433 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -46.67 -39.75 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.39 -39.05 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.4 129.04 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.1 p -47.92 -37.47 14.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -43.05 -27.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 121' ' ' TYR . . . . . 0.433 ' CD1' ' HG3' ' A' ' 116' ' ' MET . 8.4 t80 -51.92 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 122' ' ' THR . . . . . 0.458 HG23 ' N ' ' A' ' 123' ' ' SER . 3.0 t -54.83 -28.15 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.991 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 123' ' ' SER . . . . . 0.458 ' N ' HG23 ' A' ' 122' ' ' THR . 1.4 t -58.47 -34.36 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.83 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.96 -45.2 20.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.23 -46.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -64.45 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.13 -43.01 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.83 -57.88 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.7 mt -39.18 -52.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -58.53 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -39.51 -54.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.6 mt -51.62 -47.48 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -56.87 -47.45 80.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.9 mt -47.22 -41.97 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -46.28 -43.64 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -46.12 151.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 9' ' ' PRO . 29.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.3 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -129.24 146.56 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.12 143.28 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -134.43 106.93 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -172.61 139.8 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 17.6 t-80 -93.67 111.94 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.87 -174.9 4.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -82.09 115.88 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.97 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 46.4 t80 -134.12 132.71 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -134.27 88.75 29.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 tpt85 -131.58 129.85 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.44 123.14 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 44' ' ' LYS . 2.4 m-70 -140.36 170.02 16.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -109.92 121.62 45.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.5 t -117.72 150.3 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -146.85 124.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 22.8 t80 -97.31 125.91 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.4 tptm -111.55 157.65 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' LYS . 31.0 mt-10 -32.23 -68.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 HG22 ' A' ' 115' ' ' THR . 1.7 p -122.62 18.82 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -133.16 166.23 22.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -158.75 129.64 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -148.39 148.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.8 p90 -132.63 174.31 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.945 ' CE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -144.27 163.93 32.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.618 ' HB3' HD11 ' A' ' 54' ' ' ILE . 22.0 ptmt -78.97 -34.54 44.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 47' ' ' ASP . 35.6 t -153.38 132.55 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' SER . 3.5 tt0 -34.27 -34.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 45' ' ' SER . 30.3 m-20 -49.95 -59.89 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.9 mm-40 -37.88 -63.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.945 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -71.31 162.19 74.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.699 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -1.82 6.87 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.289 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.9 -87.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.42 134.67 6.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.72 166.34 27.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 44' ' ' LYS . 29.2 mt -64.46 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -165.3 111.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -89.69 139.1 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -140.28 147.21 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -88.95 101.31 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 40' ' ' LEU . 40.5 mt -45.08 -45.07 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 8.0 tmtm? -51.04 92.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 131.08 -34.17 2.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.722 ' HB2' HG22 ' A' ' 81' ' ' VAL . 14.1 p -59.67 174.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CD ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -110.77 146.63 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 79' ' ' LEU . 46.8 t -132.78 110.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' CD ' ' A' ' 63' ' ' GLU . 55.1 t -108.69 120.68 45.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -129.87 46.96 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 1.9 m -94.57 144.59 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -134.17 90.69 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' SER . 90.9 t -46.35 -32.25 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' VAL . 3.4 m -38.29 -38.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.08 44.73 1.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 38.25 45.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -109.4 146.33 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.46 105.05 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.68 155.09 26.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG23 ' HE1' ' A' ' 104' ' ' MET . 21.4 mt -133.42 110.96 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.678 ' HE3' HD13 ' A' ' 80' ' ' LEU . 13.3 tttt -88.34 107.15 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 64' ' ' VAL . 11.4 tp -97.52 110.9 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.678 HD13 ' HE3' ' A' ' 78' ' ' LYS . 3.2 tp -102.33 116.26 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 62' ' ' CYS . 27.1 t -126.02 133.56 25.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.84 43.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m -131.31 147.69 67.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.72 12.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -115.57 -30.33 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.06 -92.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.456 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 28.7 mmm -155.44 171.53 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -134.76 73.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -94.24 111.22 22.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.0 133.26 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -100.41 117.01 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.24 115.87 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -109.64 129.23 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -97.24 148.76 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.18 -41.75 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -134.11 -176.33 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -75.73 -28.47 58.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 35.5 mm-40 -55.86 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.04 -33.73 67.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 38.0 t80 -64.75 -64.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.24 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -60.33 -66.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 45.9 m95 -57.22 -65.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.523 ' HE1' HG23 ' A' ' 77' ' ' ILE . 8.5 tpp -38.31 -63.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.83 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.19 93.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -61.22 -48.83 79.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -57.36 -46.63 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.0 mt -57.52 -37.56 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.39 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -59.22 -40.58 86.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -84.69 8.77 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 92.33 -31.69 5.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.86 174.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.694 HG22 HG23 ' A' ' 38' ' ' THR . 19.8 p -141.64 157.39 45.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.1 ttp -53.58 -32.81 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.1 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.27 155.96 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -38.31 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 m -41.75 -33.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.82 ' HA ' HD11 ' A' ' 109' ' ' LEU . 22.7 t80 -38.91 -63.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -59.43 -31.91 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 t -58.57 -24.49 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -87.01 -47.06 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.39 -40.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.79 -65.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.53 -40.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.1 mt -67.2 -66.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.7 mt -34.9 -45.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -56.97 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 134' ' ' LEU . 58.4 t80 -39.43 -50.91 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.84 -50.01 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -54.43 -41.88 69.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 131' ' ' PHE . 29.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 9' ' ' PRO . 75.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.635 0.731 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.76 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -120.33 137.7 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -105.25 140.3 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.7 mmmm -129.56 106.35 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.71 139.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.5 t-80 -96.16 111.9 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 103' ' ' TRP . 6.1 mt -87.84 -174.76 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 23.4 ttt180 -82.07 115.73 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 97.1 mt -120.37 142.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 1.9 t80 -159.69 134.7 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -127.92 112.73 20.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 91.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.895 0.378 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 45.2 ttt180 -144.83 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 39.1 tt0 -75.11 97.55 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.9 m170 -122.01 168.93 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -115.27 122.54 46.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -114.36 144.32 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -137.28 121.87 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HD12 ' A' ' 11' ' ' LEU . 19.1 t80 -95.44 129.38 42.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 37' ' ' GLU . 35.7 tptt -115.71 157.3 24.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt-10 -33.13 -71.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.37 19.37 13.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -137.16 171.48 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.554 ' H ' HG22 ' A' ' 39' ' ' THR . 3.6 tt -161.0 134.2 6.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -139.05 165.03 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -158.56 156.63 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -136.45 168.45 19.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' N ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -83.54 -22.46 32.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 7.6 m -143.02 130.58 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -55.17 -46.1 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -55.22 -44.82 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 55.5 mm-40 -51.18 -50.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -66.66 155.19 89.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.77 -49.44 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.383 0.025 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.11 -98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -139.01 121.94 10.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 131.21 20.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' N ' ' A' ' 44' ' ' LYS . 73.0 mt -43.39 -51.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -159.11 118.87 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -86.58 134.33 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.86 124.43 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LYS . 55.1 t30 -83.0 94.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 40' ' ' LEU . 17.9 mt -36.4 -33.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' ASN . 18.7 tttm -62.17 117.37 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 -23.54 35.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 m -67.48 -176.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -118.48 135.76 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.83 132.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 66' ' ' PRO . 71.9 t -137.55 135.9 19.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' HG13 ' A' ' 65' ' ' VAL . 54.2 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.35 34.4 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 27.4 m -87.63 145.48 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -133.06 98.44 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.65 -41.93 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -29.15 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.05 25.66 8.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 42.09 37.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 20.4 ttmm -113.59 149.73 34.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 13.8 m-85 -147.81 114.07 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.3 t -134.53 151.55 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.413 HG22 ' CD1' ' A' ' 79' ' ' LEU . 42.1 mt -121.11 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.423 ' CG ' HD23 ' A' ' 80' ' ' LEU . 40.0 tttt -69.59 117.76 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -115.36 112.26 22.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 78' ' ' LYS . 4.0 mm? -119.1 111.2 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 22.0 t -109.54 109.91 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.73 133.15 24.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m -146.95 153.67 46.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.74 37.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.57 -24.46 42.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.9 -100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.41 124.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 m -99.91 106.31 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.78 122.64 39.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.37 122.53 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -111.0 120.58 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.4 mt -113.8 114.34 26.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -111.86 123.84 51.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.2 m -95.3 170.33 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -81.11 -59.11 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -117.88 178.61 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 14.3 pt-20 -73.8 -33.11 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -49.21 -49.92 40.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.64 -45.73 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -49.99 -46.03 52.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.85 80.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -51.63 -66.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.5 m95 -57.82 -46.51 84.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.7 tpp -46.08 -70.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.41 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.99 -47.08 89.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.5 m -62.55 -46.82 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -61.48 -53.08 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.1 mt -47.88 -36.18 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.81 -40.93 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.2 t -43.47 -41.86 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -92.72 -24.58 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.56 -31.9 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' LEU . 38.1 mtt85 -48.59 155.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -120.54 155.9 32.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.532 ' HG2' ' CG ' ' A' ' 121' ' ' TYR . 7.3 ttm -55.68 -38.84 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.402 ' CA ' ' HG3' ' A' ' 9' ' ' PRO . . . -41.96 -44.27 3.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.18 139.04 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m -58.66 -28.41 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 m -57.12 -21.41 32.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.656 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -50.15 -47.11 54.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -71.49 -37.39 71.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 m -50.84 -38.48 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -35.39 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 128' ' ' ILE . 83.3 t -62.67 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -64.56 -60.68 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.44 -41.48 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 125' ' ' VAL . 48.2 mt -57.81 -67.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.65 -37.66 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.4 -54.14 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -54.58 -46.82 73.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.31 -42.82 64.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -61.74 -37.95 86.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 9' ' ' PRO . 23.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.657 0.741 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -132.15 141.04 48.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -101.03 140.28 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -128.77 105.32 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.7 m-20 -175.7 154.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.2 t-80 -108.38 112.73 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.0 mt -88.0 -174.71 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 117.51 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 48.3 mt -119.79 134.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 36.0 t80 -141.45 135.66 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -131.31 87.54 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 94.7 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -143.53 173.11 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -77.72 90.37 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 13.6 m170 -114.33 170.43 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -117.5 140.24 49.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.65 151.45 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.0 t -148.18 124.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 37.5 t80 -95.42 136.45 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.8 tptm -118.79 157.53 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 26.6 mt-10 -32.13 -71.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -119.28 22.67 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -139.1 166.02 25.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' HG22 ' A' ' 39' ' ' THR . 5.4 tt -153.76 128.22 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -139.8 147.1 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 6.0 p90 -135.33 175.38 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -147.5 147.21 29.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.779 ' N ' HD11 ' A' ' 54' ' ' ILE . 34.3 ttmt -54.96 -26.85 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.6 m -168.71 135.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' SER . 6.7 tm0? -34.09 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' SER . 9.1 m-20 -51.23 -53.34 36.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' ASP . 7.5 mm-40 -36.3 -60.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -74.84 167.04 40.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.848 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.74 -2.12 6.96 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.366 -0.044 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.19 -88.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -159.42 140.06 9.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.4 Cg_endo -69.78 148.39 64.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' N ' ' A' ' 44' ' ' LYS . 69.0 mt -51.66 -43.4 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -160.75 133.74 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -111.06 127.91 55.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 57' ' ' LEU . 2.1 mp -133.1 168.97 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -110.25 102.56 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -40.9 -32.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -53.05 115.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.67 -1.69 60.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.408 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.4 p -78.28 175.53 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -109.86 126.31 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.42 111.46 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 41.2 t -122.29 100.24 42.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.9 Cg_endo -69.77 124.19 10.84 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.15 37.89 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 75' ' ' PHE . 3.5 p -87.92 127.6 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -121.39 77.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -40.58 -32.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 p -42.53 -45.3 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.71 14.04 29.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 59.37 48.2 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -123.96 107.97 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 3.1 m-85 -104.73 115.34 30.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 t -127.92 162.32 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.5 105.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CE ' HD13 ' A' ' 80' ' ' LEU . 50.5 tttt -76.11 118.67 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp -103.18 108.75 20.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.546 ' HG ' ' HE2' ' A' ' 87' ' ' MET . 5.8 tp -115.74 115.47 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' CB ' ' A' ' 62' ' ' CYS . 93.3 t -124.73 118.11 26.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HA ' ' CB ' ' A' ' 87' ' ' MET . 53.8 Cg_endo -69.79 138.91 38.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.437 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 3.8 m -130.47 148.07 68.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.25 13.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -127.91 -31.95 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 175.44 95.01 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.546 ' HE2' ' HG ' ' A' ' 80' ' ' LEU . 22.5 ptm -41.94 164.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -124.44 139.92 53.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 80' ' ' LEU . 38.4 tt0 -129.15 111.33 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.62 149.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -115.9 127.23 54.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.76 125.22 50.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -119.1 105.88 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -78.74 161.39 26.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -89.82 -40.37 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.83 164.43 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 15.8 pt-20 -60.85 -32.64 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.66 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -58.23 -40.06 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -51.64 -59.26 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 125' ' ' VAL . . . -54.79 -59.32 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -38.93 -63.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.3 m95 -63.75 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 9.1 tpp -38.17 -66.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.67 -40.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -63.82 -48.26 78.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.6 m -59.5 -41.28 89.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.401 HD12 ' HA2' ' A' ' 106' ' ' GLY . 16.0 mt -68.7 -48.9 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.66 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -47.22 -48.3 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -89.25 -18.33 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . 127.35 -29.57 4.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -53.49 162.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.698 HG22 HG23 ' A' ' 38' ' ' THR . 17.5 p -139.21 158.67 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.8 mtm -47.46 -32.66 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.42 -34.05 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -71.88 127.2 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 122' ' ' THR . 43.9 t -48.53 -29.54 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.9 p -51.17 -32.27 22.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -39.51 -69.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 119' ' ' SER . 6.0 t -48.67 -33.53 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -56.01 -32.29 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.35 -52.85 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.504 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 57.7 t -46.77 -38.14 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -74.6 -64.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.3 -40.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' LEU . 56.2 mt -64.75 -64.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.4 mt -36.07 -45.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.41 -57.63 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -39.93 -53.57 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.456 HD13 ' HE2' ' A' ' 75' ' ' PHE . 91.8 mt -51.96 -44.56 64.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -56.1 -42.73 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -136.71 137.3 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -93.5 132.12 38.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 30.0 mmtm -120.6 107.16 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 15.9 m-20 -171.94 138.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t-80 -100.22 114.4 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.99 -174.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -81.97 115.67 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.71 131.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 44.0 t80 -148.53 132.92 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -131.64 95.04 24.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -125.18 167.98 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -86.2 87.44 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 25.8 m170 -107.84 169.63 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 64.6 t-105 -115.86 121.53 42.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 t -112.68 142.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -135.6 121.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.5 t80 -95.19 128.12 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -112.89 157.43 21.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 36' ' ' LYS . 4.8 mm-40 -32.49 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.806 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.75 23.17 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 40' ' ' LEU . 4.2 m -140.03 169.53 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 41' ' ' SER . 6.0 tt -156.46 139.74 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.63 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.4 p -145.55 160.49 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.9 153.49 38.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 m-85 -134.96 168.66 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HG3' HD11 ' A' ' 54' ' ' ILE . 50.2 mtpt -85.78 -37.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 t -139.29 122.56 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG3' ' CG ' ' A' ' 32' ' ' TRP . 5.8 mp0 -42.46 -26.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.02 -42.35 85.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.5 pt-20 -63.1 -18.69 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -96.16 149.18 35.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.76 -48.49 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.323 0.037 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.01 -98.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -146.13 122.67 5.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.5 Cg_endo -69.77 145.82 58.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.755 HD11 ' HG3' ' A' ' 44' ' ' LYS . 65.0 mt -47.9 -45.05 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -173.87 105.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.647 ' O ' HD23 ' A' ' 57' ' ' LEU . 15.4 pt20 -67.0 145.59 55.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 56' ' ' GLN . 30.2 mt -128.44 157.88 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -116.64 93.84 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 110' ' ' ALA . 11.9 mt -37.46 -42.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -56.51 105.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 -19.89 12.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.717 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.1 m -76.89 -176.07 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.21 157.96 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -128.11 124.39 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.95 94.92 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.68 13.56 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.02 15.19 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 65.2 t -48.16 124.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 35.3 m-20 -126.18 72.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' ASN . 90.0 t -36.06 -38.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -38.89 -52.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.75 43.29 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLY . 58.8 mm-40 36.9 54.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -114.18 132.6 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -135.54 112.75 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -132.3 156.03 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt -127.39 99.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.833 ' HE3' HD21 ' A' ' 80' ' ' LEU . 30.2 tttp -71.89 122.5 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.34 109.77 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.833 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.3 mm? -112.04 109.24 18.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG22 ' SG ' ' A' ' 62' ' ' CYS . 44.7 t -116.5 121.26 33.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 140.21 41.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -150.36 153.37 34.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.59 -44.96 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.79 -79.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 81' ' ' VAL . 8.9 tpt -172.44 129.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -107.21 94.99 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.02 116.06 31.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.6 138.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -108.37 125.15 51.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.6 mt -123.94 114.19 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -109.26 127.17 54.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.09 167.9 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -85.89 -51.62 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -127.86 157.84 39.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.15 -28.95 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.94 -49.31 73.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -73.1 -41.51 63.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 3.5 t80 -53.42 -49.56 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.78 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -50.55 -63.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.5 m95 -60.91 -62.15 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' TRP . 20.3 tpp -36.29 -68.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.76 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -52.69 45.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.83 -43.61 94.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.22 -36.62 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.887 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.6 mt -67.31 -41.37 85.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -75.14 -24.64 58.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -56.85 -39.77 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -103.59 -2.26 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 118.69 -45.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -40.43 153.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.806 HG22 HG23 ' A' ' 38' ' ' THR . 24.8 p -130.43 166.95 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttm -56.45 -34.02 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.88 46.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.61 150.6 48.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -69.28 -23.67 63.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -60.39 -21.97 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.887 ' HA ' HD11 ' A' ' 109' ' ' LEU . 14.6 t80 -50.69 -57.33 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -51.31 -35.35 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.34 -48.4 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.479 ' O ' HD13 ' A' ' 129' ' ' LEU . 93.5 t -49.66 -39.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.72 -56.08 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.39 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.7 -66.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 125' ' ' VAL . 6.7 mp -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.38 -65.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' ALA . 57.4 t80 -37.48 -47.97 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 68' ' ' VAL . 31.9 mt -55.35 -48.56 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.69 -39.13 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 9' ' ' PRO . 67.4 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.76 109.87 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.85 144.83 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 141.68 35.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 34' ' ' VAL . 30.3 mmtm -129.7 109.24 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -174.0 142.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.9 t-80 -95.02 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 103' ' ' TRP . 37.1 mt -87.92 -174.88 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.59 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 8.1 ttt85 -82.06 115.64 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -122.1 129.05 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 10.4 t80 -142.45 131.89 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 5.9 mmm180 -125.6 102.43 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 47.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.83 0.348 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -125.83 159.35 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -80.27 108.33 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 14.3 m-70 -132.61 169.9 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -109.13 125.6 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.55 149.27 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 12' ' ' LYS . 54.6 t -146.57 123.99 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 38.0 t80 -95.23 131.96 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 37' ' ' GLU . 26.7 tptp -114.94 157.55 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' LYS . 6.4 mm-40 -31.57 -70.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -120.96 22.37 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -138.39 165.9 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' H ' HG22 ' A' ' 39' ' ' THR . 5.0 tt -152.74 126.38 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 53.8 m -136.77 170.52 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -160.97 157.79 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -131.56 164.72 25.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 11.0 pttm -76.55 -28.36 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -48.56 -44.56 36.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -55.21 8.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 11.0 mt-10 -38.6 -60.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.21 155.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.84 -51.04 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.338 0.034 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.32 -107.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -139.93 131.93 14.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.73 137.07 34.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -49.03 -50.57 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -155.42 108.14 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -86.71 120.47 28.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -86.05 177.32 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 60' ' ' LYS . 8.6 t-20 -132.0 74.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.1 mt -42.27 -24.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -68.06 90.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.62 -30.27 6.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.4 p -51.97 -175.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.97 158.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.8 t -134.42 124.38 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.4 t -130.0 94.71 30.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.7 Cg_endo -69.79 131.76 21.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.66 37.15 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG11 ' CE1' ' A' ' 100' ' ' TYR . 2.9 m -78.06 140.07 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -128.55 94.78 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 132' ' ' LEU . 91.0 t -47.65 -38.55 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -40.9 -59.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.88 37.2 3.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 39.36 39.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 93' ' ' ARG . 24.8 ttmt -97.46 148.68 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -154.92 107.89 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.38 130.56 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.4 mt -106.94 121.96 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HD3' HD23 ' A' ' 80' ' ' LEU . 10.0 tttm -87.98 124.64 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.464 ' O ' HD22 ' A' ' 80' ' ' LEU . 9.6 mp -113.81 114.36 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.556 HD12 ' CE ' ' A' ' 87' ' ' MET . 4.4 mm? -123.85 114.43 19.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.1 t -120.33 125.85 27.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.88 26.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -139.49 150.19 62.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.74 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.55 10.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.57 -41.43 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.03 -114.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.556 ' CE ' HD12 ' A' ' 80' ' ' LEU . 4.4 tpt -144.07 120.98 11.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -92.54 84.73 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -94.9 111.64 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.0 mt -119.68 137.74 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -110.0 129.88 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.2 mt -125.48 114.11 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 11.1 tpt180 -110.63 125.23 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.4 m -95.63 168.65 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -87.56 -57.97 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -122.16 165.35 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.534 ' OE1' HD13 ' A' ' 132' ' ' LEU . 19.4 pt-20 -62.6 -31.1 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -50.98 -46.77 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -75.94 -45.46 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.507 ' CE1' HG11 ' A' ' 68' ' ' VAL . 15.6 t80 -50.1 -60.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.55 -49.93 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -54.16 -64.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CD2' HD11 ' A' ' 15' ' ' LEU . 49.8 m95 -59.62 -63.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 6.6 tpp -34.84 -67.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.91 -40.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -62.93 -44.08 97.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.0 m -65.45 -48.06 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -54.75 -40.64 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.76 HD23 ' CD ' ' A' ' 114' ' ' ARG . 10.8 mt -64.1 -56.28 16.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -27.96 69.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -59.79 -29.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -103.57 -5.88 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.33 -35.72 4.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.76 ' CD ' HD23 ' A' ' 109' ' ' LEU . 7.5 ptp180 -60.93 146.2 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.667 HG22 HG23 ' A' ' 38' ' ' THR . 58.3 p -93.72 178.38 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.663 ' HA ' HD13 ' A' ' 109' ' ' LEU . 20.1 ttp -84.61 -26.4 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.8 -23.38 17.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.2 154.65 41.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 10.3 m -64.47 -39.52 93.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.3 m -44.75 -32.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.455 ' HA ' HD11 ' A' ' 109' ' ' LEU . 39.6 t80 -43.4 -67.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 119' ' ' SER . 4.6 t -49.55 -32.98 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 -32.18 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.95 -47.03 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.22 -38.84 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -74.28 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.89 -41.37 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.2 mt -64.03 -66.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.9 mt -36.04 -48.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.39 -61.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 134' ' ' LEU . 60.9 t80 -34.77 -50.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 97' ' ' GLU . 79.5 mt -50.61 -53.96 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -57.77 -46.97 83.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 131' ' ' PHE . 51.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 9' ' ' PRO . 79.6 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.648 0.737 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 8' ' ' ILE . 54.4 Cg_endo -69.71 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -118.18 154.03 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.8 mt -110.23 138.23 46.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 37.5 mmtm -128.82 108.9 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 28.7 m-20 -174.38 141.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.6 t-80 -99.51 113.45 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.84 -174.96 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 24.0 mtt85 -82.09 116.05 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -118.44 120.49 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -143.62 139.69 29.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -129.36 133.43 25.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 24.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -79.02 173.97 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -87.27 100.74 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.6 m-70 -125.29 170.09 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -112.85 125.6 54.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 t -119.2 146.35 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.3 t -139.62 119.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.3 t80 -95.25 134.54 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -118.32 157.68 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.6 mt-10 -31.11 -71.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.77 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -120.47 23.05 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 40' ' ' LEU . 3.8 m -139.44 167.3 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 39' ' ' THR . 4.6 tt -149.54 137.44 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -140.56 131.66 26.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.739 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -130.31 142.22 50.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -118.36 174.64 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' N ' HD11 ' A' ' 54' ' ' ILE . 47.9 mttp -78.82 -45.03 21.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.7 m -144.98 132.38 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ASP . 29.5 tt0 -40.98 -56.85 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -35.58 -54.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -39.76 -56.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -43.77 147.28 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.7 -44.57 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.359 -0.059 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 36.09 -102.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -160.73 136.69 6.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.649 0.737 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 44' ' ' LYS . 55.4 mt -42.94 -52.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.739 ' NE2' ' CE1' ' A' ' 42' ' ' TYR . 2.7 pt20 -144.46 137.54 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -117.87 105.3 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 81' ' ' VAL . 2.5 mt -116.52 163.36 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 38' ' ' THR . 2.3 t-20 -107.13 96.71 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ASN . 27.9 mt -34.69 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' ASN . 19.0 ttpt -60.57 102.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.81 -39.0 2.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -57.83 178.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -107.28 164.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.22 123.03 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 50.2 t -128.58 95.9 31.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.74 106.0 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.57 35.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 98.5 t -66.63 129.09 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -131.27 87.32 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' SER . 76.4 t -51.1 -37.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' VAL . 10.8 t -35.12 -43.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -126.98 44.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' GLY . 79.1 mm-40 36.71 51.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -107.71 146.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -153.26 105.35 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.06 145.52 51.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -114.94 94.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 14.4 tttp -70.8 101.94 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' C ' HD22 ' A' ' 80' ' ' LEU . 12.3 tp -96.08 128.33 42.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 89' ' ' GLU . 4.2 mm? -121.18 113.78 20.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 57' ' ' LEU . 15.4 t -127.44 116.38 21.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 150.68 68.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -143.48 155.45 60.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -99.8 -38.73 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.62 -106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.6 tpt -150.79 139.07 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 t -112.05 101.37 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE1' HD11 ' A' ' 80' ' ' LEU . 2.9 tp10 -113.77 116.44 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.3 132.37 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -104.84 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.8 129.67 45.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -126.24 106.23 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.15 152.14 38.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 9.1 pt20 -62.62 -39.45 93.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 24.3 p30 -142.88 -178.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.93 -27.47 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -53.05 -60.8 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.01 -39.29 94.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 6.8 t80 -50.49 -51.92 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.96 -62.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -40.21 -61.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 40.5 m95 -61.42 -62.85 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.2 tpp -40.15 -68.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.54 -42.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.477 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -61.68 -50.91 61.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.83 -48.45 78.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -56.3 -52.64 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 121' ' ' TYR . 8.8 mt -51.66 -43.12 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.25 70.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.0 t -38.29 -40.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -99.38 -34.3 10.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.9 -37.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' LEU . 85.5 mtt180 -45.33 162.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.77 HG22 HG23 ' A' ' 38' ' ' THR . 76.7 p -145.02 160.78 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.54 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 27.5 mtm -49.01 -37.46 20.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.07 -39.39 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.32 155.01 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 122' ' ' THR . 80.7 p -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -46.08 -24.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 11.8 t80 -54.71 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 119' ' ' SER . 14.8 t -61.47 -31.36 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -57.8 -34.07 69.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -47.62 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.17 -43.07 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -65.09 -57.81 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.04 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.66 -59.29 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 mt -42.49 -53.02 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.24 -60.69 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ALA . 56.3 t80 -35.04 -48.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.98 -53.4 58.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -48.77 -39.55 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 10' ' ' GLU . 27.7 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.613 0.72 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.82 109.85 2.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 8' ' ' ILE . 43.6 mt-10 -126.8 143.74 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.6 136.21 41.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.7 mmtm -122.19 107.84 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.7 m-20 -172.48 141.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.4 t-80 -99.79 113.21 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.85 -174.86 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -82.06 115.69 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.8 mt -117.8 119.91 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -133.88 132.05 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.01 108.99 18.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 74.3 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -124.72 165.38 18.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -83.39 113.49 20.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 95.8 m-70 -135.43 168.56 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.33 122.17 45.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.2 t -118.04 142.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.66 122.93 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 25.6 t80 -95.18 117.43 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.5 tptm -100.94 157.44 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 28.0 mt-10 -32.99 -70.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.69 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -119.72 20.84 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -138.15 169.04 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' H ' HG22 ' A' ' 39' ' ' THR . 2.2 tt -160.89 131.93 5.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -148.77 157.28 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.5 p90 -138.52 164.45 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -140.51 171.03 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -64.28 -50.71 66.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -147.03 162.18 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -49.76 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -55.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.65 -60.61 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.41 151.54 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -44.23 0.53 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.299 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.23 -110.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -142.58 134.68 13.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.14 53.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.79 -40.3 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -165.6 113.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.63 142.57 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG11 ' A' ' 81' ' ' VAL . 3.8 mt -143.79 131.57 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LYS . 29.4 t30 -78.77 104.48 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 110' ' ' ALA . 29.1 mt -41.09 -27.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 7.3 mmtp -53.13 124.07 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.61 -31.13 4.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 p -47.48 171.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -113.02 145.81 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -129.96 105.72 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 13.8 t -114.02 96.06 40.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.653 0.74 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.226 . . . . 0.0 112.351 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.66 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG11 HD21 ' A' ' 132' ' ' LEU . 64.4 t -46.96 115.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' SER . 33.5 t30 -124.58 64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' CG2' HD22 ' A' ' 132' ' ' LEU . 53.0 t -37.43 -30.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 9.3 t -44.46 -54.38 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -114.84 47.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLY . 98.8 mm-40 35.04 46.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 56.8 tttt -107.75 151.85 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 16.6 m-85 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.08 157.18 45.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -130.61 101.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 65' ' ' VAL . 15.0 ttpt -70.69 118.68 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp -108.71 124.13 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.64 123.31 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.906 HG11 ' HB3' ' A' ' 57' ' ' LEU . 25.3 t -130.38 102.69 16.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.678 0.751 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.52 30.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m -143.45 160.47 51.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.82 37.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -81.53 -44.18 17.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.57 -117.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.1 tpt -151.06 127.03 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -110.22 95.89 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.57 113.32 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.04 145.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -112.77 122.19 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.1 mt -117.78 116.4 26.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -111.26 105.47 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.7 160.16 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -83.08 -49.06 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.19 163.13 27.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.66 -29.18 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -53.73 -59.05 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -63.62 -40.8 97.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -54.31 -62.11 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.37 -52.69 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -50.72 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 38.5 m95 -55.68 -64.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 103' ' ' TRP . 26.8 tpp -35.41 -69.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -61.43 -51.82 55.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.01 -50.4 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' CD ' ' SD ' ' A' ' 104' ' ' MET . 42.8 mtp85 -53.78 -39.91 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.1 mt -67.96 -46.54 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -66.59 -38.05 86.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -102.39 10.52 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.61 -32.49 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -51.4 149.24 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.69 HG22 HG23 ' A' ' 38' ' ' THR . 70.6 p -120.56 -178.95 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.6 mtm -76.44 -26.06 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.07 -29.62 44.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.08 159.79 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 m -81.21 -10.53 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 t -73.53 -19.97 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.642 ' HA ' HD11 ' A' ' 109' ' ' LEU . 21.6 t80 -53.3 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.9 t -50.29 -30.79 12.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -30.0 61.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -41.88 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.43 -39.52 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -69.08 -52.55 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.34 -38.47 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.38 -52.97 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.9 mt -52.58 -42.0 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -73.21 -60.13 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 130' ' ' ALA . 80.1 t80 -36.9 -54.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.498 HD21 HG11 ' A' ' 68' ' ' VAL . 59.3 mt -52.43 -46.35 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -56.79 -40.48 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 10' ' ' GLU . 16.8 mm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.59 0.71 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.76 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.2 mt-10 -117.99 147.02 43.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.2 mt -102.68 133.5 47.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.4 mmmm -118.48 109.04 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.9 m-20 -175.11 142.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.6 t-80 -101.71 112.2 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.96 -175.31 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.97 115.75 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.86 123.94 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 6.4 t80 -141.47 134.64 29.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.61 105.0 4.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 55.7 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.4 ttm-85 -118.1 156.2 29.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 2.6 tt0 -65.27 113.79 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 84.9 m-70 -138.83 169.81 17.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -112.57 127.4 56.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.92 143.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -141.1 123.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.21 122.45 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.9 tptm -105.79 157.49 17.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.0 mt-10 -32.76 -67.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.673 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -122.7 18.93 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -135.01 168.41 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 41' ' ' SER . 4.1 tt -161.14 131.56 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' HD23 ' A' ' 40' ' ' LEU . 49.8 m -149.6 157.36 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -139.65 166.18 25.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -137.45 169.25 18.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -68.08 -56.34 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -128.64 142.89 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -47.03 -44.92 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 t0 -51.45 -59.52 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ASP . 28.5 mt-10 -34.81 -57.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.66 151.21 8.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.77 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.347 0.007 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.33 -103.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -146.54 125.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.7 129.37 17.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' PRO . 58.6 mt -36.57 -40.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.0 136.22 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -111.99 142.79 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -139.1 134.83 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 29.0 t30 -84.74 95.53 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASN . 21.6 mt -38.04 -45.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -52.13 111.76 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.34 -29.5 8.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.63 ' SG ' HG22 ' A' ' 81' ' ' VAL . 2.7 m -67.82 -176.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -119.75 159.52 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -132.6 130.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 60.5 t -132.21 99.84 15.93 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.1 Cg_endo -69.71 129.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.69 33.33 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.51 125.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 5.6 m-20 -117.45 79.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 132' ' ' LEU . 71.9 t -40.62 -25.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.5 t -53.27 -45.66 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.01 23.35 27.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 49.79 47.33 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -125.8 118.58 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -118.46 121.64 40.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -128.5 103.53 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -84.2 103.69 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.61 139.49 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 87' ' ' MET . 32.5 mt -128.77 101.77 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 82' ' ' PRO . 92.3 t -107.24 138.53 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.73 150.2 68.06 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -143.9 159.9 51.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.33 32.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -124.75 11.96 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.9 -98.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.611 ' CE ' HD22 ' A' ' 80' ' ' LEU . 3.8 ptm -173.14 158.75 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -107.72 108.11 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.83 111.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.8 mt -114.94 128.47 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.0 113.21 26.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -111.3 120.35 41.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.37 123.91 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.12 177.87 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -96.59 -42.55 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.94 175.73 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -52.23 -55.0 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.9 -43.18 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -49.94 -59.44 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.61 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -42.36 -67.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.9 m95 -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.6 tpp -36.73 -63.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.19 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.463 ' HA3' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.05 -47.0 91.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -47.37 77.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -59.29 -44.39 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.839 HD11 ' HA ' ' A' ' 121' ' ' TYR . 16.2 mt -63.89 -45.12 90.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.07 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -37.99 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.06 -17.07 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.89 -37.81 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -50.06 158.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.673 HG22 HG23 ' A' ' 38' ' ' THR . 44.1 p -133.44 161.48 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.51 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 63.2 mtm -52.73 -39.56 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.22 -26.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.58 148.97 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -64.71 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.4 t -44.8 -24.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.839 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.0 t80 -50.4 -65.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -50.53 -30.39 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -55.72 -30.01 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -48.78 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.11 -43.65 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -68.2 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.42 -45.36 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.09 -59.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.7 mt -41.18 -46.68 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.65 -61.14 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -38.51 -50.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.559 ' HB3' HG21 ' A' ' 70' ' ' VAL . 46.5 mt -47.82 -47.68 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.6 t -53.31 -46.0 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' HG3' ' A' ' 10' ' ' GLU . 17.2 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.67 0.747 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 8' ' ' ILE . 18.0 mt-10 -134.31 147.52 50.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 136.3 43.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.2 mmmt -121.01 108.95 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -173.74 142.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.8 t-80 -99.11 113.51 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.9 mt -88.94 -174.76 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -81.99 115.7 21.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mt -115.8 124.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.508 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 19.7 t80 -128.29 132.14 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -127.35 94.14 39.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.383 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 97.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -135.17 163.38 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -85.63 98.35 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 11.0 m-70 -122.74 170.23 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -109.09 140.4 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.16 140.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.66 125.94 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 13.8 t80 -98.8 120.52 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.8 tptm -107.59 157.68 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 40.7 mt-10 -32.18 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.816 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -116.38 24.47 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.93 162.41 35.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 41' ' ' SER . 5.1 tt -154.38 138.23 16.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 40' ' ' LEU . 5.2 t -149.67 158.74 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -141.14 143.89 34.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 2.4 m-85 -123.88 172.6 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -89.93 -37.47 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -142.78 129.98 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -48.34 -23.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.21 -35.46 76.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 pt-20 -71.51 -16.83 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -98.29 151.68 37.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.78 -49.46 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.309 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.93 -107.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -139.35 123.01 10.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.74 151.56 69.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.43 -44.66 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -163.76 105.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -80.23 143.79 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 146.81 37.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -104.3 106.87 17.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 mt -48.14 -24.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -66.55 104.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.94 24.52 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' HB2' HG22 ' A' ' 81' ' ' VAL . 16.8 p -112.23 179.31 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.07 153.17 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.2 t -142.15 120.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 6.7 t -123.96 98.79 38.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.81 110.6 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.87 35.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.64 123.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -127.1 88.12 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.81 -40.36 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -42.44 -36.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -124.14 37.81 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.0 mm-40 35.06 38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -94.43 141.51 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -144.61 109.17 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.81 154.06 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.69 90.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.77 106.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 79' ' ' LEU . 10.1 tp -99.14 120.38 39.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.681 HD22 ' SD ' ' A' ' 87' ' ' MET . 9.2 mt -128.75 98.07 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 62' ' ' CYS . 67.7 t -100.28 134.05 21.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.469 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.1 Cg_endo -69.75 142.28 47.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 m -134.47 140.97 37.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -120.7 -15.75 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.92 -128.51 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.681 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.0 ttm -151.04 150.37 30.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -119.67 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' OE2' HD21 ' A' ' 80' ' ' LEU . 18.4 tt0 -93.89 113.15 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -121.11 143.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -112.42 121.63 45.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.87 114.14 26.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -112.72 107.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.51 ' SG ' HD22 ' A' ' 15' ' ' LEU . 78.0 m -79.15 -177.68 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -89.01 -55.19 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.6 169.65 16.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 20.3 pt-20 -59.02 -31.7 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -48.73 -56.87 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.75 -36.27 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 104' ' ' MET . 60.2 t80 -55.69 -55.11 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.62 -56.89 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -48.88 -67.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 43.1 m95 -54.6 -65.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 1.9 tpp -36.93 -70.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.42 -33.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.18 -53.14 11.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.3 m -55.77 -38.04 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -66.98 -49.33 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 121' ' ' TYR . 11.1 mt -57.06 -43.02 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.08 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 t -48.9 -46.22 42.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -90.51 -26.95 19.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.78 2.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.23 155.72 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 38' ' ' THR . 19.2 p -134.31 171.48 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.1 mtm -50.18 -32.97 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.48 -36.54 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.22 138.71 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -65.56 -20.08 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -66.46 -19.83 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.9 t80 -52.58 -58.17 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 t -59.79 -27.41 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 -31.1 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.26 -42.56 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.72 -41.9 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.1 -57.55 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.18 -39.71 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LEU . 60.9 mt -66.01 -64.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.6 mt -35.53 -47.63 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.64 -58.18 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.25 -50.39 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.9 mt -51.93 -46.67 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.08 -46.39 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 9' ' ' PRO . 63.5 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.591 0.71 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -129.21 142.73 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.4 mtmt -137.73 115.17 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -172.67 138.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -91.3 110.9 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.86 -174.79 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -81.95 115.65 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.5 mt -119.78 127.71 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -144.34 133.25 22.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -128.13 90.84 46.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -133.72 159.61 40.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -91.08 106.6 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -125.48 169.95 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.57 121.52 43.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.3 t -117.14 141.04 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.01 123.76 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.17 127.38 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.3 tptm -116.02 158.0 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 36' ' ' LYS . 14.9 mt-10 -29.32 -71.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.784 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -123.1 24.5 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.7 155.8 49.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -150.39 129.12 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -149.79 160.17 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.542 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 p90 -137.41 175.85 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 2.7 m-85 -145.91 174.49 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.811 ' HG3' HD11 ' A' ' 54' ' ' ILE . 19.1 mttt -92.93 -35.93 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.9 p -146.45 127.56 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -43.27 -23.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' SER . 20.0 m-20 -68.21 -45.11 74.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.1 pt-20 -60.77 -24.56 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -89.44 148.0 39.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.552 0.691 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.88 -51.07 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.321 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.38 -101.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -142.16 123.58 8.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.1 Cg_endo -69.77 139.38 40.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.811 HD11 ' HG3' ' A' ' 44' ' ' LYS . 93.0 mt -43.66 -43.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -166.42 134.12 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.608 ' C ' HD12 ' A' ' 57' ' ' LEU . 14.2 pt20 -109.74 139.34 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -139.26 133.65 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -89.35 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 110' ' ' ALA . 12.2 mt -42.79 -32.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.89 95.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.58 -23.22 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 p -72.6 164.06 27.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.15 164.68 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.91 114.57 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -124.64 100.03 35.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.29 62.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.81 19.14 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 132' ' ' LEU . 46.8 t -50.96 114.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' VAL . 2.2 t-20 -124.67 74.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.2 t -37.56 -38.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' VAL . 41.0 t -34.81 -53.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -122.48 48.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' GLY . 12.9 mm-40 34.87 39.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.75 135.13 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CD2' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -145.44 112.29 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.2 t -137.54 146.62 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.46 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' HD21 ' A' ' 80' ' ' LEU . 35.0 tttt -84.32 100.03 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.815 ' C ' HD22 ' A' ' 80' ' ' LEU . 7.9 tp -88.22 142.23 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 79' ' ' LEU . 3.9 mm? -133.49 114.18 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 57' ' ' LEU . 15.0 t -122.96 102.89 37.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.47 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -145.16 159.67 48.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.46 8.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.95 -39.08 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.89 -103.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.51 128.94 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 m -112.24 80.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.57 117.52 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.46 144.83 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -107.46 129.47 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.2 114.18 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -111.71 126.1 54.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.5 m -95.24 153.24 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.21 -53.66 34.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.76 174.28 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -69.24 -28.75 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.44 ' N ' ' OE2' ' A' ' 97' ' ' GLU . 22.8 mm-40 -55.97 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -54.26 -40.98 68.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.39 -48.89 77.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.43 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HA ' HG22 ' A' ' 125' ' ' VAL . 85.0 mtt180 -51.35 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' MET . 41.4 m95 -54.37 -64.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 23.7 tpp -36.38 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.33 -39.78 4.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -59.36 -55.54 30.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.5 m -58.89 -30.77 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -69.95 -42.48 73.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.667 HD11 ' HA ' ' A' ' 121' ' ' TYR . 12.7 mt -68.66 -55.97 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.808 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -59.42 -27.25 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -57.29 -33.97 68.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -105.82 -2.04 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.93 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.9 150.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.784 HG22 HG23 ' A' ' 38' ' ' THR . 3.6 p -125.72 160.25 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.441 ' HE3' ' O ' ' A' ' 9' ' ' PRO . 8.0 ttm -42.54 -43.96 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' MET . . . -36.3 -36.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.79 136.73 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.0 t -58.27 -34.4 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' TYR . 3.6 m -48.42 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.667 ' HA ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -38.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -56.65 -33.02 65.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.9 t -54.91 -32.38 61.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -78.44 -44.5 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 125' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 102' ' ' ARG . 71.2 t -52.86 -43.54 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -69.05 -57.31 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.71 -40.09 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.36 -56.0 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.45 -36.65 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.49 -64.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -42.2 -43.99 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.464 HD21 HG11 ' A' ' 68' ' ' VAL . 71.9 mt -55.98 -48.63 75.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t -61.14 -35.45 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.8 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.607 0.718 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.78 114.58 3.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.4 mt-10 -129.29 154.3 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -107.99 145.48 33.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 45.6 mmtt -131.24 105.94 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.9 m-20 -173.28 142.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.2 t-80 -103.78 113.74 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.21 -175.27 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -82.26 115.77 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -116.08 120.77 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 51.6 t80 -122.82 133.0 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.5 mmm180 -132.98 91.0 30.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -138.58 145.63 40.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.1 87.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 23.6 m170 -109.27 164.62 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -111.51 123.27 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 t -117.14 151.44 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.408 HG21 ' NZ ' ' A' ' 12' ' ' LYS . 98.3 t -147.23 122.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.6 t80 -95.24 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.2 tptt -98.15 157.38 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.6 mm-40 -33.16 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.96 HG23 HG22 ' A' ' 115' ' ' THR . 2.7 p -116.44 22.34 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.506 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -140.83 169.22 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 39' ' ' THR . 3.2 tt -159.49 134.56 8.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -149.08 148.25 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -132.43 165.35 24.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 m-85 -142.41 169.4 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -79.13 -37.68 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 m -136.07 138.48 42.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.62 -43.87 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.46 -53.23 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.93 -63.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -48.28 152.81 1.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.76 -45.75 0.4 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.3 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.53 -99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.3 122.88 18.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.77 117.96 5.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' PRO . 86.8 mt -34.48 -47.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -161.98 107.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -86.6 141.05 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HB3' HG11 ' A' ' 81' ' ' VAL . 14.8 mt -143.11 132.07 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -80.26 93.19 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.431 HD21 HD21 ' A' ' 79' ' ' LEU . 17.2 mt -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -66.86 97.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.66 6.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -75.57 -175.68 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.83 157.21 20.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.8 t -136.04 129.31 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 21.6 t -134.52 99.91 12.76 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.78 127.34 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -121.01 78.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 132' ' ' LEU . 19.5 t -103.19 123.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.3 t-20 -120.24 73.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' SER . 85.8 t -36.65 -42.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' VAL . 4.6 m -36.17 -47.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -125.06 42.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' GLY . 21.7 mm100 36.6 48.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.385 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -97.48 117.21 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CD1' HG13 ' A' ' 68' ' ' VAL . 45.6 m-85 -126.71 93.33 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.0 m -121.46 145.9 47.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.09 107.66 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.912 ' HE3' HD21 ' A' ' 80' ' ' LEU . 35.7 tttp -81.98 106.43 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.529 ' C ' HD22 ' A' ' 80' ' ' LEU . 11.5 tp -97.63 131.08 44.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.1 mm? -126.24 109.75 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HB3' ' A' ' 57' ' ' LEU . 17.9 t -120.18 121.49 29.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 111.142 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.38 32.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.379 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -141.26 144.21 33.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -88.59 -24.43 22.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.68 -107.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.8 tpt -149.68 139.93 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -116.52 84.21 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -99.36 111.39 23.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.35 143.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.63 112.86 20.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.03 119.59 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -111.26 113.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.9 166.98 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -87.86 -50.77 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.81 159.01 37.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 14.4 pt-20 -58.51 -31.2 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -52.08 -49.02 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -74.13 -45.56 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -50.53 -47.68 57.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -57.9 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -47.23 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 52.8 m95 -53.16 -66.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' TRP . 5.2 tpp -37.57 -71.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.84 -40.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.47 74.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.95 -34.4 71.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -68.5 -39.43 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ARG . 93.6 mt -56.01 -58.84 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.77 74.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.8 t -45.47 -40.6 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.94 -18.51 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 125.1 -30.31 4.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 109' ' ' LEU . 8.6 ptm180 -70.16 155.72 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.96 HG22 HG23 ' A' ' 38' ' ' THR . 1.3 p -123.87 174.29 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 118' ' ' ASP . 76.1 mtm -55.21 -32.98 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 118' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' MET . 7.4 t70 -81.29 127.87 33.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 122' ' ' THR . 22.9 p -51.87 -35.31 44.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 123' ' ' SER . 9.5 t -50.2 -32.94 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.8 -66.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 119' ' ' SER . 5.2 t -48.42 -28.01 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 120' ' ' SER . 1.8 t -58.75 -34.77 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.17 -42.19 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.51 -39.83 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.88 -54.86 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.29 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.33 -64.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.93 -37.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.85 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -42.48 -57.95 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.517 ' CD2' HG11 ' A' ' 68' ' ' VAL . 95.8 mt -47.11 -44.5 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 t -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -120.51 143.75 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -109.54 135.2 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -120.1 109.56 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -175.05 142.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.5 t-80 -100.55 112.25 24.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.68 -174.92 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -81.97 115.86 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -117.38 126.35 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t80 -150.91 133.22 15.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -130.03 83.44 63.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 58.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtp85 -136.24 160.35 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -70.28 93.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 46.7 m170 -119.31 169.57 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -110.07 138.32 46.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.92 151.24 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -145.83 122.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 17.7 t80 -95.18 119.5 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.0 tptt -104.62 157.37 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB3' HG21 ' A' ' 115' ' ' THR . 45.7 mt-10 -33.21 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.5 22.53 12.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -139.48 167.79 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' H ' HG22 ' A' ' 39' ' ' THR . 2.0 tt -159.76 133.74 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -142.18 154.53 44.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -141.02 138.63 33.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -123.16 165.23 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -73.73 -40.69 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.7 p -141.34 144.64 34.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -53.98 -42.48 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -48.14 -51.45 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.59 -53.92 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.52 132.16 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.699 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.74 -46.79 0.34 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.352 -0.048 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.19 -100.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -148.12 113.19 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.8 128.36 15.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' PRO . 73.7 mt -34.11 -40.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -174.97 114.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -91.64 138.66 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.76 145.13 31.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -90.82 113.93 26.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.22 -42.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -57.45 107.56 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.99 -18.9 9.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' CB ' HG22 ' A' ' 81' ' ' VAL . 15.4 p -87.03 -175.62 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -124.79 162.42 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.4 p -144.47 114.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.4 t -110.83 123.11 36.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.57 4.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.82 31.97 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.47 148.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -134.45 96.7 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.63 -33.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -42.57 -45.59 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.77 32.71 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 44.13 46.18 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -114.44 153.24 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -153.56 120.04 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -132.36 146.98 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.22 96.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -75.02 98.99 3.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.16 128.93 40.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 87' ' ' MET . 14.7 mt -119.89 104.81 10.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD12 ' A' ' 57' ' ' LEU . 73.8 t -106.61 125.62 32.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 135.96 31.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 p -131.94 142.56 45.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -117.97 -2.97 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.41 -102.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 80' ' ' LEU . 7.0 ttm -166.54 144.36 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -113.24 81.4 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -89.78 118.77 29.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.01 142.34 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -110.82 116.35 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -115.1 119.53 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -109.51 132.58 54.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -105.41 148.44 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.39 -57.21 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -129.63 178.62 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.04 -32.76 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -48.88 -54.31 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -69.48 -44.8 70.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -49.37 -59.69 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.6 -42.64 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -63.06 -67.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 30.4 m95 -55.71 -59.86 4.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.2 tpp -44.62 -64.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.9 -35.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.06 -53.42 14.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.4 m -54.05 -35.85 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -68.7 -37.08 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HA ' ' A' ' 121' ' ' TYR . 21.9 mt -69.38 -51.57 35.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.4 t -47.23 -43.06 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -94.54 -30.59 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.06 -25.11 2.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' LEU . 96.0 mtt180 -65.51 152.78 43.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 38' ' ' THR . 21.7 p -134.09 162.3 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 49.0 mtm -42.05 -34.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.41 -42.16 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.9 147.02 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.2 p -74.82 -2.37 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -79.76 -19.19 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.628 ' HA ' HD11 ' A' ' 109' ' ' LEU . 10.4 t80 -50.88 -48.31 60.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 t -66.31 -31.58 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t -56.4 -25.04 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 128' ' ' ILE . 27.3 mt-10 -86.31 -40.22 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.52 -38.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -72.73 -61.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.31 -42.22 14.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 124' ' ' GLU . 60.3 mt -64.44 -58.18 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.3 mt -46.61 -43.5 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.45 -64.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 130' ' ' ALA . 53.3 t80 -37.25 -51.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.2 mt -50.59 -47.84 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -54.95 -47.82 73.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.6 0.714 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.14 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -136.91 138.91 41.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.36 143.55 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.4 mmmt -131.77 105.78 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -171.07 147.29 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.4 t-80 -103.7 110.4 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.81 -174.57 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 11.6 mmp_? -81.82 115.6 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.7 mt -114.58 124.41 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 12.4 t80 -133.79 132.07 40.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -129.1 90.91 43.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 42.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 5.7 ttp180 -128.5 156.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.4 97.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.7 m170 -122.51 169.81 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -114.83 127.99 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 34' ' ' VAL . 92.6 t -121.92 152.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 34' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 33' ' ' VAL . 97.0 t -149.27 126.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.2 t80 -95.27 128.31 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.1 tptp -110.53 157.82 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' LYS . 30.3 mt-10 -30.9 -61.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.507 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -130.52 14.4 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.8 163.78 22.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 59' ' ' LEU . 3.8 tt -154.02 131.82 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -149.37 169.96 19.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -152.32 167.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.575 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.16 160.02 41.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 54' ' ' ILE . 42.1 mtmt -55.91 -34.7 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -154.67 153.26 31.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -58.01 -38.65 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -52.94 63.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -41.91 -53.61 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -58.88 150.92 57.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.72 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.321 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.25 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' PRO . 19.2 t70 -150.15 122.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 132.84 24.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.602 HD11 ' N ' ' A' ' 44' ' ' LYS . 41.5 mt -50.24 -36.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 57' ' ' LEU . 4.5 tm0? -175.0 139.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -125.09 140.4 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -138.64 146.58 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -86.73 105.86 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.537 ' CD2' HD21 ' A' ' 79' ' ' LEU . 57.8 mt -53.85 -21.07 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 99.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -35.04 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -52.96 177.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -116.04 154.93 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.32 120.15 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 16.5 t -122.96 94.77 46.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.716 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.74 102.75 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.98 34.61 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 6.7 m -73.36 146.11 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -130.7 88.52 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.8 -37.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -46.3 -41.4 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.59 32.37 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 40.26 44.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 39.3 tttt -117.06 146.81 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -146.34 121.53 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.23 149.05 50.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -128.64 94.42 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -74.42 113.33 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 59' ' ' LEU . 10.4 tp -98.13 109.02 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.22 115.28 30.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.34 116.31 37.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 139.16 39.66 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -139.12 147.34 53.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.683 0.754 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.85 37.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -92.88 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.55 -134.91 2.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.57 130.23 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 m -124.67 118.0 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CE2' ' A' ' 91' ' ' TYR . 1.8 pp20? -117.13 156.5 27.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.0 mt -140.5 123.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 91' ' ' TYR . . . . . 0.589 ' CE2' ' OE2' ' A' ' 89' ' ' GLU . 39.0 m-85 -97.64 124.02 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.9 mt -123.16 115.44 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -109.76 114.12 27.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.0 m -80.2 174.88 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -92.41 -53.05 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.03 168.49 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.92 -29.67 67.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -55.79 -49.8 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -71.44 -46.63 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 7.4 t80 -48.53 -57.12 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -41.76 -63.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 65.7 m95 -61.41 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 103' ' ' TRP . 12.4 tpp -37.72 -66.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.63 -36.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.18 -55.52 15.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -56.58 -40.45 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.83 -32.99 68.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 116' ' ' MET . 18.5 mt -73.45 -56.06 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.57 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -43.33 -48.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -89.46 -8.92 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.11 -8.1 27.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.49 149.71 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 38' ' ' THR . 63.3 p -101.55 164.9 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.61 ' HA ' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp -78.73 -20.19 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.81 80.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -54.28 142.0 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 122' ' ' THR . 2.6 m -54.58 -36.86 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 t -46.03 -29.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.49 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.0 t80 -45.89 -53.88 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 119' ' ' SER . 4.7 t -57.5 -35.94 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.8 t -50.15 -33.17 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.06 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.5 t -45.43 -40.23 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.38 -62.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.1 -36.06 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.0 mt -70.17 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 35.8 mt -43.26 -49.49 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 134' ' ' LEU . 51.7 t80 -38.17 -51.19 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.85 -51.89 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -54.02 -45.33 71.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 131' ' ' PHE . 53.7 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.614 HG21 ' HE3' ' A' ' 36' ' ' LYS . 30.1 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.651 0.739 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.77 106.47 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.311 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 8' ' ' ILE . 8.0 mt-10 -122.49 158.82 28.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.7 mt -106.16 153.53 21.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 14.5 mmtp -138.01 106.52 5.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.8 148.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.7 t-80 -104.41 113.57 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.2 mt -88.01 -174.99 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 64.6 mmt-85 -82.05 115.69 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.9 127.31 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 27.2 t80 -138.89 136.02 35.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -134.12 86.95 35.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 45.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.872 0.368 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 31.5 mtm180 -101.37 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.44 91.58 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 9.1 m170 -117.26 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -109.85 130.83 55.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.2 t -122.4 145.77 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.4 t -139.57 122.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 24.5 t80 -95.23 127.35 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE3' HG21 ' A' ' 8' ' ' ILE . 14.8 tptm -113.1 157.49 21.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 16.0 mt-10 -32.44 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -117.01 24.65 11.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 40' ' ' LEU . 8.1 m -141.75 168.14 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 59' ' ' LEU . 2.2 tt -155.38 139.53 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 40' ' ' LEU . 75.6 m -149.35 156.7 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -152.16 152.1 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -128.21 160.05 33.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -60.37 -36.48 78.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -149.14 135.48 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -46.95 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -53.53 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -44.59 -58.05 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.95 151.2 4.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.73 -48.28 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.329 -0.033 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.49 -102.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -147.32 124.9 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.93 29.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -43.78 -53.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.9 mt-30 -146.61 109.32 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.46 122.02 34.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -141.99 153.63 44.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -98.47 106.65 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 40' ' ' LEU . 32.8 mt -38.45 -41.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -42.54 120.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.5 -36.54 4.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.527 ' CB ' HG22 ' A' ' 81' ' ' VAL . 11.1 p -61.49 173.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -115.71 151.0 35.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 64' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.5 p -134.17 120.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -119.69 125.93 27.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -127.21 33.65 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 2.3 m -85.78 146.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -132.57 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -37.17 -43.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 m -39.9 -48.11 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -109.01 40.52 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' GLY . 18.5 mm-40 34.84 52.4 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 32.9 ttpt -122.55 153.88 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 1.5 m-85 -158.26 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.78 141.21 51.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -111.7 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -72.41 103.43 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 59' ' ' LEU . 10.6 tp -98.72 133.14 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mt -134.64 98.92 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.755 HG21 HD12 ' A' ' 57' ' ' LEU . 59.8 t -98.98 122.21 53.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 147.73 63.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.1 m -151.52 143.01 15.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.42 8.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.64 -24.1 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.41 -136.19 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 9.5 tpt -136.46 128.79 30.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -102.99 98.19 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -104.11 117.37 34.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.0 mt -122.48 135.49 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.1 115.51 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.5 mt -112.13 122.48 47.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -122.24 124.41 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 15' ' ' LEU . 81.6 m -92.46 169.69 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.49 -41.13 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -132.29 176.2 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.3 OUTLIER -73.21 -29.3 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 18.4 mm-40 -55.33 -61.82 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.18 -37.54 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 6.1 t80 -59.03 -67.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.08 -48.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -52.89 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 57.0 m95 -55.88 -56.71 17.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.2 tpp -41.54 -64.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.62 -30.77 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.24 -52.55 26.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 62.8 m -61.6 -37.29 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.32 -37.93 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 121' ' ' TYR . 56.4 mt -70.2 -54.16 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.47 90.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 t -40.75 -42.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -96.76 -22.32 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 -36.62 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 109' ' ' LEU . 75.5 mtm180 -49.48 160.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.561 HG22 HG23 ' A' ' 38' ' ' THR . 21.0 p -134.27 -175.01 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 42.4 mtm -83.38 18.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.25 13.94 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -94.4 27.15 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.7 t 38.43 31.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 16.8 m -134.02 -33.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.494 ' HA ' HD11 ' A' ' 109' ' ' LEU . 3.7 t80 -38.19 -61.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -49.59 -34.22 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' SER . 1.5 t -53.75 -38.12 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.39 -53.92 12.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -43.46 -42.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.54 -58.11 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.44 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' LEU . 71.1 mt -55.41 -62.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 47.7 mt -37.06 -43.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.65 -61.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -38.92 -47.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.3 -47.44 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -52.84 -35.1 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 ' HG3' ' A' ' 10' ' ' GLU . 35.3 mm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.591 0.71 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.8 Cg_endo -69.76 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.679 ' HG3' HG22 ' A' ' 8' ' ' ILE . 31.2 mt-10 -120.78 138.1 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -95.95 137.2 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 34.1 mmtm -122.73 109.0 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.4 m-20 -175.01 144.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.11 114.76 29.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 94' ' ' CYS . 4.3 mt -89.7 -174.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.92 115.65 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -114.33 127.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -150.65 136.18 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -129.81 129.44 23.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 51.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -146.27 168.99 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -79.87 106.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 7.1 m80 -130.32 170.21 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -108.16 131.01 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.69 148.23 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.52 123.48 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.0 t80 -95.04 133.17 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.2 tptm -119.13 157.67 27.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 38.8 mt-10 -32.8 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.483 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.5 24.53 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.614 HG22 ' N ' ' A' ' 40' ' ' LEU . 30.0 m -141.79 166.43 24.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.614 ' N ' HG22 ' A' ' 39' ' ' THR . 5.6 tt -162.03 134.6 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 40' ' ' LEU . 54.6 m -149.39 157.08 43.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.647 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.0 p90 -133.34 172.23 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -149.26 162.15 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.2 ptmm? -94.76 -34.74 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -124.59 113.92 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 5.8 tm0? -48.04 -19.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.27 -34.88 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -58.98 -28.23 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -100.83 163.79 17.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.688 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.767 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.75 -0.25 6.07 Favored 'Cis proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.343 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -19.96 -92.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.22 128.73 7.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.77 153.56 68.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 44' ' ' LYS . 92.3 mt -61.4 -44.45 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.448 ' OE1' HD21 ' A' ' 57' ' ' LEU . 2.8 tt0 -160.24 108.89 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -86.41 138.79 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB3' HG11 ' A' ' 81' ' ' VAL . 1.3 mt -141.18 129.23 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 60' ' ' LYS . 30.4 t-20 -82.46 108.96 16.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.0 mt -51.76 -35.28 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -61.18 99.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -27.42 5.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.89 -179.29 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.66 154.17 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -131.55 119.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.85 94.75 42.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 119.36 6.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.38 82.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.37 125.57 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -119.11 73.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.95 -35.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -42.92 -41.82 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -123.59 40.96 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 72' ' ' GLY . 33.7 mm-40 36.82 47.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -103.41 153.02 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 48.8 m-85 -156.02 106.82 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -123.97 144.03 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -121.82 104.69 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.3 tttt -78.97 139.14 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 78' ' ' LYS . 6.2 mp -124.85 110.85 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.21 97.12 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 57' ' ' LEU . 41.1 t -105.48 102.83 39.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.11 24.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 m -127.57 154.61 77.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -113.15 -35.13 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.29 -133.13 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.3 tpt -148.1 124.07 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 t -104.28 92.51 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 6.5 pt-20 -101.26 112.03 24.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.7 mt -114.31 148.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -119.12 125.09 48.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -122.32 119.5 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.538 ' SG ' HD22 ' A' ' 15' ' ' LEU . 86.9 m -89.5 173.96 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.42 -54.94 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -130.85 172.81 11.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 8.5 pt-20 -62.41 -33.1 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -47.29 -58.6 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -68.27 -48.59 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 104' ' ' MET . 4.9 t80 -46.27 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -37.96 -58.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -44.83 -64.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.6 m95 -56.65 -63.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.414 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 8.7 tpp -38.45 -69.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.09 -33.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.071 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.84 -52.58 14.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.6 m -55.59 -40.9 72.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -61.01 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.581 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.4 mt -61.99 -52.89 62.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.23 83.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.8 t -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 140.46 -26.34 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -56.0 150.12 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.483 HG22 HG23 ' A' ' 38' ' ' THR . 65.0 p -118.1 155.79 29.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 26.2 mtm -50.22 -32.74 17.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.93 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -67.73 141.24 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.7 m -65.84 -5.4 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -80.62 -11.86 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.581 ' HA ' HD11 ' A' ' 109' ' ' LEU . 25.9 t80 -58.92 -72.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 t -52.6 -32.51 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -54.1 -28.46 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -47.86 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.15 -39.17 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -72.66 -53.18 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.52 -34.68 50.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 84.2 mt -72.32 -54.57 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.95 -48.76 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.46 -57.4 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 134' ' ' LEU . 71.7 t80 -41.5 -46.38 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.461 HD12 ' OE1' ' A' ' 97' ' ' GLU . 90.4 mt -57.97 -52.15 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.7 t -53.46 -44.43 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.602 HG21 ' HE3' ' A' ' 36' ' ' LYS . 37.6 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.598 0.714 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.71 102.74 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 8' ' ' ILE . 40.3 mt-10 -118.6 150.67 39.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -107.78 139.68 41.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.0 mmtp -127.5 108.17 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-20 -173.58 145.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 7.7 t-80 -101.49 113.68 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.5 mt -89.5 -174.92 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -81.97 115.7 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 mt -118.24 131.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.577 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 78.2 t80 -137.88 131.74 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -134.99 92.78 18.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 86.5 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.359 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -161.06 175.97 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 60.3 tt0 -101.95 83.09 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 17.5 m-70 -103.25 165.1 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.472 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 53.1 t-105 -101.67 127.84 48.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 t -120.52 136.48 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.37 118.94 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.25 134.6 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.2 tptm -122.15 157.88 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' LYS . 41.6 mt-10 -31.39 -71.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.591 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -119.03 20.88 12.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.61 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' ' 40' ' ' LEU . 7.2 tt -151.0 122.28 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.73 160.63 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CE1' ' HB ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.09 155.7 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -138.56 174.52 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -64.46 -20.9 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -174.4 163.0 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.472 ' N ' ' HB2' ' A' ' 32' ' ' TRP . 32.7 tt0 -63.6 -45.32 90.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.1 m-20 -53.26 -59.2 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ASP . 36.6 mm-40 -35.57 -51.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -51.25 161.89 0.71 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.714 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.8 -45.4 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.29 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.09 -101.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -164.49 133.05 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.728 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.592 ' N ' ' CE2' ' A' ' 43' ' ' TYR . 53.7 Cg_endo -69.79 129.58 17.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 42' ' ' TYR . 19.6 mt -33.25 -44.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -175.31 136.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.4 pp0? -109.21 167.02 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' HB3' HG11 ' A' ' 81' ' ' VAL . 1.3 mt -149.49 110.62 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.29 93.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -48.94 -19.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.84 82.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.71 12.4 6.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.05 176.61 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.13 141.84 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -117.45 123.0 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 94.8 t -124.96 96.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.73 118.89 5.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -115.67 32.71 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.89 143.71 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -131.9 85.13 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.3 t -43.97 -36.56 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' VAL . 73.5 m -35.51 -42.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -128.63 48.01 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mm-40 36.58 45.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.79 134.25 51.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -137.47 117.91 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.15 151.59 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.28 101.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' HD13 ' A' ' 80' ' ' LEU . 9.8 ttpt -82.14 123.99 29.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -107.53 108.96 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.569 HD13 ' HE3' ' A' ' 78' ' ' LYS . 8.1 tp -108.98 106.4 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG11 ' HB3' ' A' ' 57' ' ' LEU . 73.4 t -111.48 102.81 54.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -158.2 152.46 20.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.11 6.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -91.43 -42.05 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' MET . . . 157.25 119.63 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' GLY . 8.5 tpt -34.52 136.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 m -128.78 107.4 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 3.9 pt-20 -113.88 116.71 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 92' ' ' LEU . 85.3 mt -112.6 138.6 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -102.69 119.19 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 92' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 90' ' ' ILE . 22.0 mt -120.01 114.3 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 94' ' ' CYS . 13.9 tpt85 -108.43 126.05 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' CYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 78.2 m -93.92 161.5 14.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.38 -51.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -32.87 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -51.58 -50.09 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -72.11 -47.62 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.29 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.96 -53.67 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -49.31 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 51.5 m95 -56.76 -63.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 tpp -39.56 -68.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.14 -38.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.69 -56.89 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 97.9 m -54.77 -36.5 64.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 -63.87 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.67 -48.92 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.84 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -47.26 -27.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -110.61 -15.03 13.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.31 -29.45 5.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -55.0 162.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.591 HG22 HG23 ' A' ' 38' ' ' THR . 76.1 p -127.79 150.5 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.9 ttm -46.23 -42.59 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.38 -39.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.16 140.49 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' THR . 22.7 t -64.64 -18.39 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.0 t -63.22 -26.83 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -49.49 -61.69 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 119' ' ' SER . 2.3 t -54.27 -34.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 t -55.91 -28.3 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 128' ' ' ILE . 20.1 mt-10 -83.56 -35.15 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.82 -37.5 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.68 -53.99 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.59 -46.67 58.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 124' ' ' GLU . 55.5 mt -59.26 -59.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.44 -45.38 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.63 -57.59 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -40.54 -58.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.5 mt -44.01 -47.24 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.2 t -54.26 -35.88 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 9' ' ' PRO . 12.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.74 95.78 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -117.6 139.61 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -103.77 149.08 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -136.45 105.87 6.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.4 m-20 -173.29 152.0 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.8 t-80 -111.2 114.61 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -90.43 -174.94 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 9.6 mpt_? -82.28 115.73 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -116.97 124.39 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -134.81 135.81 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -130.27 109.62 16.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.558 0.694 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 72.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.38 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 5.6 tpm_? -108.28 150.06 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 47.1 tt0 -61.94 95.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 5.4 m-70 -120.67 169.18 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.428 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 55.5 t-105 -112.79 136.37 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.46 146.3 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.5 t -141.22 127.13 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 16.1 t80 -98.44 121.5 40.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 55.0 tptt -108.45 157.51 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 7.3 mm-40 -32.68 -73.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.642 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.79 23.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 40' ' ' LEU . 14.0 m -139.97 168.21 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -160.33 137.36 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 40' ' ' LEU . 6.2 m -148.76 161.49 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -148.81 158.34 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -134.96 171.82 13.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' HB3' HD11 ' A' ' 54' ' ' ILE . 11.3 ptpt -74.28 -38.1 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -140.98 152.55 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.428 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.8 mp0 -63.3 -43.77 96.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.28 -52.41 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -42.27 -52.63 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.2 132.19 24.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.9 Cg_endo -69.7 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.393 -0.029 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.45 -99.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.85 124.77 3.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 44' ' ' LYS . 74.6 mt -49.92 -44.6 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -161.43 112.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.686 ' O ' HD23 ' A' ' 57' ' ' LEU . 10.3 mt-30 -98.58 140.92 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLN . 11.5 mt -147.96 157.93 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -99.1 109.3 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 40' ' ' LEU . 19.0 mt -52.33 -29.6 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -68.39 88.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.03 -19.37 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -79.39 172.96 13.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.93 156.6 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.83 121.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 87.3 t -126.94 98.21 31.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.48 34.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 4.8 m -73.43 147.19 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 71' ' ' SER . 61.1 t-20 -133.77 92.03 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -53.59 -20.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 69' ' ' ASN . 5.8 t -54.88 -52.31 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.95 48.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' GLY . 55.5 mm-40 35.57 52.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -115.05 144.44 43.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -151.8 112.45 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.3 138.39 44.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 104' ' ' MET . 26.6 mt -109.62 117.73 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 78' ' ' LYS . . . . . 0.909 ' HE2' HD13 ' A' ' 80' ' ' LEU . 4.7 tmtt? -92.31 109.37 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -95.06 129.83 41.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.909 HD13 ' HE2' ' A' ' 78' ' ' LYS . 7.4 tp -124.21 107.35 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 57' ' ' LEU . 27.0 t -117.49 109.32 42.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 149.35 66.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 83' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 2.3 m -139.46 151.32 66.5 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.67 14.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -129.2 -30.49 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 174.84 106.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE1' HD12 ' A' ' 80' ' ' LEU . 2.7 ppp? -50.28 166.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.413 ' N ' ' SD ' ' A' ' 87' ' ' MET . 1.2 t -132.94 111.21 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.1 118.5 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.6 mp -112.71 141.17 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -116.25 106.56 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -105.83 122.38 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -112.19 127.4 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.7 m -96.68 166.73 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.91 -62.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -116.71 169.81 9.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 7.2 pt-20 -68.77 -27.28 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -56.63 -44.27 81.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.73 -47.51 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.517 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 4.4 t80 -50.11 -42.56 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.84 95.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -56.88 -55.28 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 46.4 m95 -66.08 -67.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.472 ' HE1' HG23 ' A' ' 77' ' ' ILE . 14.8 tpp -37.43 -63.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.46 -37.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.453 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -69.37 -56.18 9.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.0 m -52.49 -42.05 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.1 -32.27 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.453 HD12 ' HA2' ' A' ' 106' ' ' GLY . 17.4 mt -72.79 -55.4 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.14 94.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t -40.63 -44.04 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -90.95 -21.46 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.469 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 131.4 -34.05 2.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -54.25 163.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.642 HG22 HG23 ' A' ' 38' ' ' THR . 81.5 p -134.57 157.5 46.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.3 mtm -49.36 -40.14 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.71 128.85 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 121' ' ' TYR . 50.6 m -47.44 -45.55 25.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.2 t -38.27 -28.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.3 t80 -47.56 -54.76 10.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 119' ' ' SER . 7.0 t -60.43 -31.24 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -57.05 -34.31 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -76.02 -44.03 41.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.8 -37.86 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -73.64 -58.02 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.32 -37.76 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.27 -58.92 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.36 -41.76 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -74.5 -61.58 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 134' ' ' LEU . 77.7 t80 -37.11 -55.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 48.8 mt -47.49 -45.63 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.4 t -59.32 -41.35 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 134' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 131' ' ' PHE . 36.7 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.59 HG21 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.623 0.725 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 114.97 3.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.0 mt-10 -136.24 148.45 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 35' ' ' PHE . 1.9 mt -105.87 134.72 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 1.6 mmmm -117.56 108.48 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.1 m-20 -174.95 143.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.1 t-80 -98.74 113.52 25.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.08 -175.09 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.1 tpm_? -82.11 116.13 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mt -118.81 127.36 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 5.4 t80 -145.45 132.04 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 29.5 mtp180 -133.42 107.09 12.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.548 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 99.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -134.11 178.28 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -98.1 101.05 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 10.4 m-70 -125.88 167.75 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 66.9 t-105 -106.57 139.81 40.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.89 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.3 t -143.66 123.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 14.3 t80 -95.54 132.41 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.0 tptm -115.92 157.83 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.9 mt-10 -31.87 -72.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.65 22.5 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.19 165.06 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 41' ' ' SER . 6.1 tt -155.86 125.48 6.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' HD23 ' A' ' 40' ' ' LEU . 71.8 m -140.73 153.35 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -140.55 173.32 11.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -144.51 170.16 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.5 pttm -78.48 -37.23 43.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 m -132.7 137.6 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.524 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.3 tt0 -62.06 -27.68 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' CA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -49.45 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.684 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -38.08 151.89 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.73 -48.54 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.36 -0.023 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.03 -94.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' PRO . 7.5 p-10 -143.47 118.56 6.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.81 15.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HB3' ' A' ' 44' ' ' LYS . 96.3 mt -41.67 -42.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -159.48 128.91 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.5 pt20 -111.17 131.53 55.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -140.44 128.24 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 39.0 t-20 -82.8 108.26 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.9 -39.55 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -49.34 96.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.69 21.94 6.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.9 p -107.84 -174.93 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -109.45 152.6 25.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.4 121.86 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.15 95.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.91 13.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -111.6 25.77 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 89.5 t -66.84 131.28 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' VAL . 24.3 m-20 -133.38 78.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ASN . 94.8 t -35.1 -36.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -41.09 -56.48 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.35 36.67 4.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 37.8 47.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -106.47 155.26 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -153.27 105.19 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.24 140.14 52.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 79' ' ' LEU . 40.4 mt -117.75 96.5 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -68.67 122.1 17.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -116.41 112.81 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.51 107.27 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.789 HG21 HD12 ' A' ' 57' ' ' LEU . 92.7 t -106.8 128.0 26.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.72 26.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -137.84 140.17 28.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -0.84 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -119.15 -20.58 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.59 -143.9 7.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.5 ttm -138.16 135.36 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -108.65 81.78 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -94.13 115.99 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.91 150.52 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -113.77 109.88 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.97 114.18 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -110.62 100.76 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.1 m -70.73 167.94 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.19 -50.99 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -125.48 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 12.7 pt-20 -68.36 -28.29 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -55.0 -60.66 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -62.57 -44.2 96.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' TYR . . . . . 0.641 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 4.1 t80 -49.92 -56.13 11.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -51.64 -66.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ALA . 78.7 mtt180 -35.57 -66.98 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 37.3 m95 -56.24 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.9 tpp -38.15 -66.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.82 -40.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.65 -56.5 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.1 m -51.92 -41.54 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.94 -39.69 94.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.1 mt -66.84 -42.96 84.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.24 63.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -49.87 -47.28 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.18 -32.63 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.33 -23.28 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 114' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LEU . 94.3 mtt180 -60.15 152.84 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 38' ' ' THR . 80.9 p -125.9 149.56 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 28.4 mtm -43.88 -32.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.44 -39.92 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.64 163.89 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.7 m -79.88 -23.93 41.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 m -53.99 -34.07 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.73 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.7 t80 -38.68 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -52.88 -32.08 43.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 t -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -54.29 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.32 -38.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.39 -57.82 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.86 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.84 -62.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 23.3 mt -39.85 -47.1 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 130' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.82 -59.91 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 131' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 130' ' ' ALA . 78.6 t80 -36.4 -53.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 95.3 mt -44.18 -44.04 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 133' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.8 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 10' ' ' GLU . 47.7 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.612 0.72 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.75 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' HG22 ' A' ' 8' ' ' ILE . 15.4 mt-10 -116.94 151.17 37.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.19 140.73 35.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 27.5 mmtm -124.35 105.84 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.3 m-20 -174.49 142.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.5 111.93 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.04 -175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 8.1 ttm180 -81.95 115.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -115.22 137.32 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.3 t80 -152.58 136.88 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 18.5 mtm105 -143.71 105.04 4.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 17.6 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.11 170.22 16.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.94 108.65 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 67.0 m-70 -131.64 169.68 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -111.98 128.44 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -123.11 145.74 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.74 126.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 11' ' ' LEU . 21.7 t80 -96.78 119.89 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HE3' HG21 ' A' ' 8' ' ' ILE . 16.7 tptm -104.09 157.72 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 36' ' ' LYS . 24.9 mt-10 -32.4 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.0 24.47 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.4 m -143.23 166.35 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' H ' HG22 ' A' ' 39' ' ' THR . 4.9 tt -159.11 124.65 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' HD23 ' A' ' 40' ' ' LEU . 26.2 m -140.23 159.32 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -142.9 170.3 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -143.85 167.49 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -70.02 -18.49 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.6 t -163.57 149.81 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CD ' ' C ' ' A' ' 46' ' ' GLN . 5.9 tm0? -59.78 -39.88 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.08 -55.72 24.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -41.11 -52.8 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.53 133.26 6.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.4 Cg_endo -69.77 -39.42 1.34 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.321 -0.0 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.65 -97.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -158.18 122.37 2.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 123.86 10.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -39.99 -43.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' GLN . . . . . 0.547 ' OE1' HD11 ' A' ' 57' ' ' LEU . 6.6 tt0 -166.85 107.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' HG ' ' A' ' 57' ' ' LEU . 16.7 pt20 -93.35 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.547 HD11 ' OE1' ' A' ' 55' ' ' GLN . 3.0 mt -148.47 163.99 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -99.9 120.92 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 79' ' ' LEU . 41.6 mt -67.97 -38.05 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -59.6 104.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.23 -21.16 8.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 p -79.85 -179.76 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.67 159.41 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.5 t -139.29 112.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 42.0 t -107.46 101.59 40.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.157 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.76 123.29 9.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.43 75.06 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 132' ' ' LEU . 96.2 t -101.36 119.32 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' SER . 36.6 t30 -115.48 68.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -39.58 -28.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.0 t -44.94 -46.42 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.37 42.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 40.78 50.31 2.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.977 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -106.26 131.13 53.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -137.31 106.73 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 55.4 m -131.34 149.83 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.6 mt -117.92 125.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -102.73 108.58 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 59' ' ' LEU . 9.9 tp -98.94 114.08 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.76 98.66 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.49 131.15 21.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 150.6 68.18 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -143.24 156.51 61.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -106.66 -40.8 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.45 -93.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 88' ' ' SER . 7.1 tpp -155.07 122.0 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' SER . . . . . 0.439 ' N ' ' SD ' ' A' ' 87' ' ' MET . 3.6 m -97.21 94.86 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 118.52 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.5 mt -107.0 137.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -107.78 125.06 50.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.3 mt -124.46 114.24 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -103.1 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 65.5 m -80.33 162.22 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -77.6 -61.27 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -121.94 179.9 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -69.97 -27.25 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 15.8 mm-40 -58.04 -57.96 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -63.82 -35.04 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -59.21 -56.61 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.33 64.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -51.0 -63.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.0 m95 -60.52 -62.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 tpp -41.27 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.22 -36.22 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -66.4 -54.44 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.6 m -55.77 -39.85 71.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 121' ' ' TYR . 25.0 mt -67.01 -52.9 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 110' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -61.81 -40.79 96.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -39.82 -32.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -105.73 -17.5 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 113' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . 122.36 -10.24 9.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -67.83 151.85 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.442 HG22 HG23 ' A' ' 38' ' ' THR . 82.2 p -118.93 145.05 46.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.7 ttp -44.79 -36.62 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.79 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.82 134.93 57.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 119' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 122' ' ' THR . 58.0 m -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 120' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 123' ' ' SER . 83.3 p -55.91 -34.42 65.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.7 t80 -36.24 -65.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 122' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 119' ' ' SER . 6.6 t -53.67 -32.77 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 123' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 120' ' ' SER . 2.0 t -56.86 -28.01 61.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.67 -44.45 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.04 -35.47 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -76.51 -57.58 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.91 -36.78 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 128' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LEU . 63.1 mt -72.61 -67.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 129' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' ILE . 36.6 mt -36.24 -47.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.38 -61.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -39.74 -45.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 132' ' ' LEU . . . . . 0.546 ' CD2' HG11 ' A' ' 68' ' ' VAL . 93.3 mt -49.8 -47.36 51.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -58.94 -47.46 84.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.934 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' HG3' ' A' ' 10' ' ' GLU . 43.0 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.543 0.687 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 97.83 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.8 mt-10 -117.56 150.86 38.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -104.03 131.42 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -117.05 109.63 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -174.68 149.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 t60 -101.9 114.68 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.431 HD11 ' CE3' ' A' ' 103' ' ' TRP . 7.5 mt -89.65 -174.75 4.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -81.97 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.86 132.45 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 6.4 t80 -142.08 131.65 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -134.88 83.45 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 26.9 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.09 156.36 45.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -92.56 94.37 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 64.9 m170 -118.3 151.05 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' TYR . 54.3 t-105 -82.78 145.59 29.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.7 t -136.26 144.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.22 120.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.5 t80 -95.18 127.87 41.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 22.4 tptt -110.57 157.45 19.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.1 mt-10 -32.77 -67.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 115' ' ' THR . 2.2 p -121.66 18.64 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -136.48 169.64 17.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' H ' HG22 ' A' ' 39' ' ' THR . 6.8 tt -153.68 138.67 17.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 41' ' ' SER . . . . . 0.467 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 p -148.79 142.44 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -133.37 148.36 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 1.3 m-85 -127.4 166.36 18.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -81.81 -33.0 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' ASP . 8.2 m -144.27 122.81 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -44.65 -22.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' SER . 39.9 m-20 -72.91 -40.04 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -62.97 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -88.07 147.2 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.79 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.361 0.034 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.79 -98.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -148.35 117.83 4.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.731 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.71 144.86 55.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.38 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.69 -44.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -167.18 118.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -99.16 137.11 38.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -141.92 157.57 44.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -103.85 114.34 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 79' ' ' LEU . 70.5 mt -63.49 -9.33 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -71.89 100.38 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.32 21.95 9.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' CYS . . . . . 0.464 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.3 p -105.1 -175.07 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.99 149.25 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.6 t -138.49 125.54 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.8 106.59 20.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.53 38.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.52 34.47 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 74' ' ' LYS . 5.1 p -78.02 133.76 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -125.97 77.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.6 t -40.46 -28.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 t -49.79 -52.26 33.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.87 34.6 5.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 42.03 52.71 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 74' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.5 ttpt -126.69 137.53 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 75' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -138.83 123.39 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.6 t -136.92 162.11 34.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.08 106.02 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -79.15 107.14 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 79' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 59' ' ' LEU . 7.1 tp -99.16 129.94 45.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD22 ' SD ' ' A' ' 87' ' ' MET . 18.0 mt -133.67 102.45 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 62' ' ' CYS . 96.4 t -109.21 133.68 20.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.2 Cg_endo -69.81 147.33 62.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -144.03 147.14 36.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -9.63 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -107.05 -28.08 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.32 -123.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 87' ' ' MET . . . . . 0.694 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.4 ttm -142.26 137.14 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -107.12 93.47 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -96.28 116.54 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.61 138.08 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -103.78 124.32 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.63 115.65 23.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -115.51 109.14 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.21 169.62 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -91.77 -39.23 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -143.17 163.95 31.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.31 -39.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.76 -61.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.6 -44.14 97.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -49.31 -61.59 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.35 -55.08 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -46.49 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 47.2 m95 -60.56 -64.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 104' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' TRP . 6.4 tpp -34.94 -67.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.98 -36.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 106' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -64.24 -55.43 23.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.5 m -53.52 -44.13 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -60.74 -51.8 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.8 mt -54.07 -43.04 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.48 -31.93 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -50.59 -29.3 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.23 -40.82 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.17 -7.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -74.3 149.87 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 115' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' THR . 52.7 p -114.65 149.04 37.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 116' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -46.67 -39.75 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.39 -39.05 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.4 129.04 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.1 p -47.92 -37.47 14.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -43.05 -27.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 121' ' ' TYR . . . . . 0.793 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.4 t80 -51.92 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -54.83 -28.15 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -58.47 -34.36 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.96 -45.2 20.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.23 -46.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -64.45 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.13 -43.01 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.83 -57.88 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.7 mt -39.18 -52.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -58.53 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -39.51 -54.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.6 mt -51.62 -47.48 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -56.87 -47.45 80.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -91.65 115.71 28.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.798 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -158.3 134.12 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.21 -109.28 2.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -114.52 129.25 56.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -163.59 172.53 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 172.18 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 9' ' ' PRO . 29.5 mt -61.13 136.15 93.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.3 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -129.24 146.56 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.12 143.28 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -134.43 106.93 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -172.61 139.8 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 17.6 t-80 -93.67 111.94 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.87 -174.9 4.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -82.09 115.88 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.97 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 46.4 t80 -134.12 132.71 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -134.27 88.75 29.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.3 Cg_endo -69.77 -16.04 37.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.401 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -96.95 36.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -170.09 157.86 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -50.73 116.75 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.446 ' C ' HD12 ' A' ' 25' ' ' LEU . 8.7 t -150.21 151.85 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 24' ' ' THR . 6.1 mp -136.18 147.03 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.16 40.18 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -103.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -81.87 153.24 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 tpt85 -131.58 129.85 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.44 123.14 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 44' ' ' LYS . 2.4 m-70 -140.36 170.02 16.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -109.92 121.62 45.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.5 t -117.72 150.3 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -146.85 124.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 22.8 t80 -97.31 125.91 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.4 tptm -111.55 157.65 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' LYS . 31.0 mt-10 -32.23 -68.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 HG22 ' A' ' 115' ' ' THR . 1.7 p -122.62 18.82 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -133.16 166.23 22.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -158.75 129.64 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -148.39 148.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.8 p90 -132.63 174.31 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.945 ' CE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -144.27 163.93 32.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.618 ' HB3' HD11 ' A' ' 54' ' ' ILE . 22.0 ptmt -78.97 -34.54 44.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 47' ' ' ASP . 35.6 t -153.38 132.55 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' SER . 3.5 tt0 -34.27 -34.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 45' ' ' SER . 30.3 m-20 -49.95 -59.89 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.9 mm-40 -37.88 -63.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.945 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -71.31 162.19 74.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.699 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -1.82 6.87 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.289 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.9 -87.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.42 134.67 6.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.72 166.34 27.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 44' ' ' LYS . 29.2 mt -64.46 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -165.3 111.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -89.69 139.1 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -140.28 147.21 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -88.95 101.31 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 40' ' ' LEU . 40.5 mt -45.08 -45.07 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 8.0 tmtm? -51.04 92.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 131.08 -34.17 2.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.722 ' HB2' HG22 ' A' ' 81' ' ' VAL . 14.1 p -59.67 174.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CD ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -110.77 146.63 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 79' ' ' LEU . 46.8 t -132.78 110.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' CD ' ' A' ' 63' ' ' GLU . 55.1 t -108.69 120.68 45.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -129.87 46.96 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 1.9 m -94.57 144.59 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -134.17 90.69 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' SER . 90.9 t -46.35 -32.25 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' VAL . 3.4 m -38.29 -38.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.08 44.73 1.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 0.4 OUTLIER 38.25 45.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.846 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -109.4 146.33 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.46 105.05 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.68 155.09 26.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG23 ' HE1' ' A' ' 104' ' ' MET . 21.4 mt -133.42 110.96 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.678 ' HE3' HD13 ' A' ' 80' ' ' LEU . 13.3 tttt -88.34 107.15 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 64' ' ' VAL . 11.4 tp -97.52 110.9 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.678 HD13 ' HE3' ' A' ' 78' ' ' LYS . 3.2 tp -102.33 116.26 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 62' ' ' CYS . 27.1 t -126.02 133.56 25.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.84 43.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m -131.31 147.69 67.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.72 12.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -115.57 -30.33 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.06 -92.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.456 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 28.7 mmm -155.44 171.53 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -134.76 73.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -94.24 111.22 22.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.0 133.26 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -100.41 117.01 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.24 115.87 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -109.64 129.23 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -97.24 148.76 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.18 -41.75 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -134.11 -176.33 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -75.73 -28.47 58.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 35.5 mm-40 -55.86 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.04 -33.73 67.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 38.0 t80 -64.75 -64.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.24 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -60.33 -66.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 45.9 m95 -57.22 -65.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.523 ' HE1' HG23 ' A' ' 77' ' ' ILE . 8.5 tpp -38.31 -63.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.83 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.19 93.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -61.22 -48.83 79.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -57.36 -46.63 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.0 mt -57.52 -37.56 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.39 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -59.22 -40.58 86.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -84.69 8.77 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 92.33 -31.69 5.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.86 174.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.694 HG22 HG23 ' A' ' 38' ' ' THR . 19.8 p -141.64 157.39 45.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.1 ttp -53.58 -32.81 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.1 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.27 155.96 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -38.31 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 m -41.75 -33.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.82 ' HA ' HD11 ' A' ' 109' ' ' LEU . 22.7 t80 -38.91 -63.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -59.43 -31.91 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 t -58.57 -24.49 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -87.01 -47.06 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.39 -40.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.79 -65.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.53 -40.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.1 mt -67.2 -66.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.7 mt -34.9 -45.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -56.97 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 134' ' ' LEU . 58.4 t80 -39.43 -50.91 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.84 -50.01 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -54.43 -41.88 69.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 131' ' ' PHE . 29.0 mt -60.4 -46.54 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.1 mt-30 -43.96 -44.97 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -42.38 162.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -168.7 162.5 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -161.36 159.09 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.97 -151.94 23.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -163.18 139.15 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -89.13 128.4 35.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.32 -156.18 23.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 9' ' ' PRO . 75.1 mt -61.85 137.51 95.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.76 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -120.33 137.7 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -105.25 140.3 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.7 mmmm -129.56 106.35 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.71 139.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.5 t-80 -96.16 111.9 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 103' ' ' TRP . 6.1 mt -87.84 -174.76 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 23.4 ttt180 -82.07 115.73 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 97.1 mt -120.37 142.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 1.9 t80 -159.69 134.7 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -127.92 112.73 20.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.14 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -50.98 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -58.86 120.01 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.67 74.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.0 p -125.6 115.76 20.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mp -45.82 -45.8 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -108.86 105.61 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.38 -66.76 1.58 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 91.7 m-85 -56.49 125.23 21.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 45.2 ttt180 -144.83 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 39.1 tt0 -75.11 97.55 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.9 m170 -122.01 168.93 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -115.27 122.54 46.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -114.36 144.32 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -137.28 121.87 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HD12 ' A' ' 11' ' ' LEU . 19.1 t80 -95.44 129.38 42.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 37' ' ' GLU . 35.7 tptt -115.71 157.3 24.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt-10 -33.13 -71.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.37 19.37 13.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -137.16 171.48 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' H ' HG22 ' A' ' 39' ' ' THR . 3.6 tt -161.0 134.2 6.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -139.05 165.03 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -158.56 156.63 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -136.45 168.45 19.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' N ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -83.54 -22.46 32.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 7.6 m -143.02 130.58 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -55.17 -46.1 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -55.22 -44.82 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 55.5 mm-40 -51.18 -50.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -66.66 155.19 89.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.77 -49.44 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.383 0.025 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.11 -98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -139.01 121.94 10.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 131.21 20.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' N ' ' A' ' 44' ' ' LYS . 73.0 mt -43.39 -51.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -159.11 118.87 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -86.58 134.33 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.86 124.43 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LYS . 55.1 t30 -83.0 94.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 40' ' ' LEU . 17.9 mt -36.4 -33.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' ASN . 18.7 tttm -62.17 117.37 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 -23.54 35.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 m -67.48 -176.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -118.48 135.76 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.83 132.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 66' ' ' PRO . 71.9 t -137.55 135.9 19.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' HG13 ' A' ' 65' ' ' VAL . 54.2 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.35 34.4 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 27.4 m -87.63 145.48 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -133.06 98.44 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.65 -41.93 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -29.15 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.05 25.66 8.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 42.09 37.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 20.4 ttmm -113.59 149.73 34.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 13.8 m-85 -147.81 114.07 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.3 t -134.53 151.55 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.413 HG22 ' CD1' ' A' ' 79' ' ' LEU . 42.1 mt -121.11 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.423 ' CG ' HD23 ' A' ' 80' ' ' LEU . 40.0 tttt -69.59 117.76 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -115.36 112.26 22.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 78' ' ' LYS . 4.0 mm? -119.1 111.2 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 22.0 t -109.54 109.91 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.73 133.15 24.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m -146.95 153.67 46.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.74 37.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.57 -24.46 42.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.9 -100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.41 124.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 m -99.91 106.31 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.78 122.64 39.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.37 122.53 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -111.0 120.58 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.4 mt -113.8 114.34 26.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -111.86 123.84 51.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.2 m -95.3 170.33 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -81.11 -59.11 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -117.88 178.61 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 14.3 pt-20 -73.8 -33.11 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -49.21 -49.92 40.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.64 -45.73 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -49.99 -46.03 52.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.85 80.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -51.63 -66.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.5 m95 -57.82 -46.51 84.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.7 tpp -46.08 -70.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.41 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.99 -47.08 89.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.5 m -62.55 -46.82 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -61.48 -53.08 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.1 mt -47.88 -36.18 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.81 -40.93 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.2 t -43.47 -41.86 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -92.72 -24.58 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.56 -31.9 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' LEU . 38.1 mtt85 -48.59 155.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -120.54 155.9 32.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.532 ' HG2' ' CG ' ' A' ' 121' ' ' TYR . 7.3 ttm -55.68 -38.84 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' CA ' ' HG3' ' A' ' 9' ' ' PRO . . . -41.96 -44.27 3.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.18 139.04 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m -58.66 -28.41 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 m -57.12 -21.41 32.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.656 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -50.15 -47.11 54.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -71.49 -37.39 71.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 m -50.84 -38.48 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -35.39 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 128' ' ' ILE . 83.3 t -62.67 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -64.56 -60.68 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.44 -41.48 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 125' ' ' VAL . 48.2 mt -57.81 -67.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.65 -37.66 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.4 -54.14 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.436 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 39.4 t80 -54.58 -46.82 73.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.31 -42.82 64.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -61.74 -37.95 86.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 19.4 mm-40 -50.58 -42.54 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.46 154.6 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -64.27 122.07 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -68.28 175.27 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.34 -146.69 9.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -151.73 119.57 6.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -67.69 134.14 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.04 -155.26 53.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 9' ' ' PRO . 23.2 mt -44.98 135.85 4.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -132.15 141.04 48.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -101.03 140.28 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -128.77 105.32 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.7 m-20 -175.7 154.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.2 t-80 -108.38 112.73 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.0 mt -88.0 -174.71 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 117.51 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 48.3 mt -119.79 134.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 36.0 t80 -141.45 135.66 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -131.31 87.54 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.2 Cg_endo -69.74 -15.47 37.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 21' ' ' ARG . 5.7 tmm_? -79.09 120.89 24.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.36 45.84 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tp -55.59 139.83 42.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 t -116.54 -32.95 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 26' ' ' LYS . 56.5 mt -137.58 174.6 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 31.9 tttp -37.17 136.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -42.46 -94.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 94.7 m-85 -74.65 137.3 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -143.53 173.11 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -77.72 90.37 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 13.6 m170 -114.33 170.43 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -117.5 140.24 49.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.65 151.45 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.0 t -148.18 124.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 37.5 t80 -95.42 136.45 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.8 tptm -118.79 157.53 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 26.6 mt-10 -32.13 -71.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -119.28 22.67 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -139.1 166.02 25.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' HG22 ' A' ' 39' ' ' THR . 5.4 tt -153.76 128.22 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -139.8 147.1 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 6.0 p90 -135.33 175.38 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.64 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -147.5 147.21 29.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.779 ' N ' HD11 ' A' ' 54' ' ' ILE . 34.3 ttmt -54.96 -26.85 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.6 m -168.71 135.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' SER . 6.7 tm0? -34.09 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' SER . 9.1 m-20 -51.23 -53.34 36.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' ASP . 7.5 mm-40 -36.3 -60.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -74.84 167.04 40.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.848 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.74 -2.12 6.96 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.366 -0.044 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.19 -88.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -159.42 140.06 9.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.4 Cg_endo -69.78 148.39 64.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' N ' ' A' ' 44' ' ' LYS . 69.0 mt -51.66 -43.4 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -160.75 133.74 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -111.06 127.91 55.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.564 ' N ' HD12 ' A' ' 57' ' ' LEU . 2.1 mp -133.1 168.97 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -110.25 102.56 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -40.9 -32.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -53.05 115.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.67 -1.69 60.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.408 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.4 p -78.28 175.53 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -109.86 126.31 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.42 111.46 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 41.2 t -122.29 100.24 42.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.9 Cg_endo -69.77 124.19 10.84 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.15 37.89 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 75' ' ' PHE . 3.5 p -87.92 127.6 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -121.39 77.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -40.58 -32.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 p -42.53 -45.3 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.71 14.04 29.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 59.37 48.2 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -123.96 107.97 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 3.1 m-85 -104.73 115.34 30.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 t -127.92 162.32 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.5 105.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CE ' HD13 ' A' ' 80' ' ' LEU . 50.5 tttt -76.11 118.67 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp -103.18 108.75 20.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.546 ' HG ' ' HE2' ' A' ' 87' ' ' MET . 5.8 tp -115.74 115.47 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' CB ' ' A' ' 62' ' ' CYS . 93.3 t -124.73 118.11 26.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HA ' ' CB ' ' A' ' 87' ' ' MET . 53.8 Cg_endo -69.79 138.91 38.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.437 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 3.8 m -130.47 148.07 68.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.25 13.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -127.91 -31.95 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 175.44 95.01 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.546 ' HE2' ' HG ' ' A' ' 80' ' ' LEU . 22.5 ptm -41.94 164.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -124.44 139.92 53.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 80' ' ' LEU . 38.4 tt0 -129.15 111.33 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.62 149.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -115.9 127.23 54.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.76 125.22 50.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -119.1 105.88 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -78.74 161.39 26.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -89.82 -40.37 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.83 164.43 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 15.8 pt-20 -60.85 -32.64 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.66 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -58.23 -40.06 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -51.64 -59.26 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 125' ' ' VAL . . . -54.79 -59.32 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -38.93 -63.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.3 m95 -63.75 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 9.1 tpp -38.17 -66.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.67 -40.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -63.82 -48.26 78.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.6 m -59.5 -41.28 89.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD12 ' HA2' ' A' ' 106' ' ' GLY . 16.0 mt -68.7 -48.9 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.66 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -47.22 -48.3 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -89.25 -18.33 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . 127.35 -29.57 4.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -53.49 162.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.698 HG22 HG23 ' A' ' 38' ' ' THR . 17.5 p -139.21 158.67 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.8 mtm -47.46 -32.66 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.42 -34.05 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -71.88 127.2 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 122' ' ' THR . 43.9 t -48.53 -29.54 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.9 p -51.17 -32.27 22.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -39.51 -69.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 119' ' ' SER . 6.0 t -48.67 -33.53 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -56.01 -32.29 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.35 -52.85 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.504 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 57.7 t -46.77 -38.14 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -74.6 -64.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.3 -40.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' LEU . 56.2 mt -64.75 -64.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.4 mt -36.07 -45.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.41 -57.63 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -39.93 -53.57 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.456 HD13 ' HE2' ' A' ' 75' ' ' PHE . 91.8 mt -51.96 -44.56 64.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -56.1 -42.73 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt -57.34 -28.35 63.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -65.76 -35.55 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.466 ' HA ' ' NE ' ' A' ' 136' ' ' ARG . 0.1 OUTLIER -51.7 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -42.21 -60.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -46.3 135.66 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.08 179.09 19.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -116.36 36.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -126.42 151.24 47.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.17 169.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -43.72 130.7 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -136.71 137.3 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -93.5 132.12 38.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 30.0 mmtm -120.6 107.16 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 15.9 m-20 -171.94 138.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t-80 -100.22 114.4 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.99 -174.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -81.97 115.67 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.71 131.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 44.0 t80 -148.53 132.92 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -131.64 95.04 24.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.78 -18.24 37.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' NH1' ' HB3' ' A' ' 21' ' ' ARG . 9.3 mtp-105 -85.29 46.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -158.98 144.27 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.56 88.41 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -166.23 145.32 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tp -40.8 109.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -51.7 154.35 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.15 -171.26 15.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -112.01 153.18 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -125.18 167.98 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -86.2 87.44 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 25.8 m170 -107.84 169.63 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 64.6 t-105 -115.86 121.53 42.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 t -112.68 142.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -135.6 121.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.5 t80 -95.19 128.12 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -112.89 157.43 21.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 36' ' ' LYS . 4.8 mm-40 -32.49 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.806 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.75 23.17 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 40' ' ' LEU . 4.2 m -140.03 169.53 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 41' ' ' SER . 6.0 tt -156.46 139.74 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.63 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.4 p -145.55 160.49 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.9 153.49 38.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 m-85 -134.96 168.66 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HG3' HD11 ' A' ' 54' ' ' ILE . 50.2 mtpt -85.78 -37.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 t -139.29 122.56 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG3' ' CG ' ' A' ' 32' ' ' TRP . 5.8 mp0 -42.46 -26.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.02 -42.35 85.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.5 pt-20 -63.1 -18.69 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -96.16 149.18 35.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.76 -48.49 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.323 0.037 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.01 -98.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -146.13 122.67 5.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.5 Cg_endo -69.77 145.82 58.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.755 HD11 ' HG3' ' A' ' 44' ' ' LYS . 65.0 mt -47.9 -45.05 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.552 ' NE2' ' O ' ' A' ' 56' ' ' GLN . 0.5 OUTLIER -173.87 105.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.647 ' O ' HD23 ' A' ' 57' ' ' LEU . 15.4 pt20 -67.0 145.59 55.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 56' ' ' GLN . 30.2 mt -128.44 157.88 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -116.64 93.84 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 110' ' ' ALA . 11.9 mt -37.46 -42.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -56.51 105.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 -19.89 12.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.717 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.1 m -76.89 -176.07 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.21 157.96 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -128.11 124.39 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.95 94.92 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.68 13.56 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.02 15.19 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 65.2 t -48.16 124.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 35.3 m-20 -126.18 72.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' ASN . 90.0 t -36.06 -38.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -38.89 -52.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.75 43.29 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLY . 58.8 mm-40 36.9 54.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -114.18 132.6 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -135.54 112.75 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -132.3 156.03 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt -127.39 99.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.833 ' HE3' HD21 ' A' ' 80' ' ' LEU . 30.2 tttp -71.89 122.5 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.34 109.77 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.833 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.3 mm? -112.04 109.24 18.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG22 ' SG ' ' A' ' 62' ' ' CYS . 44.7 t -116.5 121.26 33.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 140.21 41.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -150.36 153.37 34.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.59 -44.96 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.79 -79.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 81' ' ' VAL . 8.9 tpt -172.44 129.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -107.21 94.99 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.02 116.06 31.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.6 138.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -108.37 125.15 51.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.6 mt -123.94 114.19 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -109.26 127.17 54.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.09 167.9 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -85.89 -51.62 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -127.86 157.84 39.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.15 -28.95 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.94 -49.31 73.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -73.1 -41.51 63.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 3.5 t80 -53.42 -49.56 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.78 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -50.55 -63.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.5 m95 -60.91 -62.15 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' TRP . 20.3 tpp -36.29 -68.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.76 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -52.69 45.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.83 -43.61 94.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.22 -36.62 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.887 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.6 mt -67.31 -41.37 85.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -75.14 -24.64 58.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -56.85 -39.77 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -103.59 -2.26 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 118.69 -45.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -40.43 153.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.806 HG22 HG23 ' A' ' 38' ' ' THR . 24.8 p -130.43 166.95 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttm -56.45 -34.02 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.88 46.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.61 150.6 48.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -69.28 -23.67 63.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -60.39 -21.97 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.887 ' HA ' HD11 ' A' ' 109' ' ' LEU . 14.6 t80 -50.69 -57.33 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -51.31 -35.35 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.34 -48.4 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.479 ' O ' HD13 ' A' ' 129' ' ' LEU . 93.5 t -49.66 -39.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.72 -56.08 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.39 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.7 -66.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 125' ' ' VAL . 6.7 mp -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.38 -65.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' ALA . 57.4 t80 -37.48 -47.97 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 68' ' ' VAL . 31.9 mt -55.35 -48.56 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.69 -39.13 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt -58.24 -41.43 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.402 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 21.5 mm-40 -51.2 -54.15 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.09 159.85 32.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -96.79 129.66 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.84 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 t -167.16 138.53 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.44 143.28 1.85 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -72.13 -56.0 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t 68.44 39.76 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.19 -174.86 44.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 9' ' ' PRO . 67.4 mt -51.04 136.02 28.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.76 109.87 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.85 144.83 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 141.68 35.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 34' ' ' VAL . 30.3 mmtm -129.7 109.24 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -174.0 142.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.9 t-80 -95.02 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 103' ' ' TRP . 37.1 mt -87.92 -174.88 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.59 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 8.1 ttt85 -82.06 115.64 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -122.1 129.05 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 10.4 t80 -142.45 131.89 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' NH1' ' HB3' ' A' ' 19' ' ' ARG . 5.9 mmm180 -125.6 102.43 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.73 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -170.73 179.86 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.04 -22.22 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.02 169.83 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -61.1 151.23 31.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 14.6 tp -170.43 155.85 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ttmm -37.61 121.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.06 -126.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 47.5 m-85 -71.09 145.52 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -125.83 159.35 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -80.27 108.33 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 14.3 m-70 -132.61 169.9 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -109.13 125.6 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.55 149.27 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 12' ' ' LYS . 54.6 t -146.57 123.99 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 38.0 t80 -95.23 131.96 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 37' ' ' GLU . 26.7 tptp -114.94 157.55 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' LYS . 6.4 mm-40 -31.57 -70.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -120.96 22.37 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -138.39 165.9 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' H ' HG22 ' A' ' 39' ' ' THR . 5.0 tt -152.74 126.38 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 53.8 m -136.77 170.52 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -160.97 157.79 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -131.56 164.72 25.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 11.0 pttm -76.55 -28.36 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -48.56 -44.56 36.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -55.21 8.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 11.0 mt-10 -38.6 -60.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.21 155.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.84 -51.04 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.338 0.034 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.32 -107.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -139.93 131.93 14.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.73 137.07 34.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -49.03 -50.57 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -155.42 108.14 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -86.71 120.47 28.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -86.05 177.32 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 60' ' ' LYS . 8.6 t-20 -132.0 74.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.1 mt -42.27 -24.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -68.06 90.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.62 -30.27 6.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.4 p -51.97 -175.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.97 158.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.8 t -134.42 124.38 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.4 t -130.0 94.71 30.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.7 Cg_endo -69.79 131.76 21.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.66 37.15 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG11 ' CE1' ' A' ' 100' ' ' TYR . 2.9 m -78.06 140.07 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -128.55 94.78 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 132' ' ' LEU . 91.0 t -47.65 -38.55 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -40.9 -59.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.88 37.2 3.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 39.36 39.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 93' ' ' ARG . 24.8 ttmt -97.46 148.68 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -154.92 107.89 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.38 130.56 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.4 mt -106.94 121.96 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HD3' HD23 ' A' ' 80' ' ' LEU . 10.0 tttm -87.98 124.64 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.464 ' O ' HD22 ' A' ' 80' ' ' LEU . 9.6 mp -113.81 114.36 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.556 HD12 ' CE ' ' A' ' 87' ' ' MET . 4.4 mm? -123.85 114.43 19.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.1 t -120.33 125.85 27.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.88 26.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -139.49 150.19 62.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.74 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.55 10.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.57 -41.43 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.03 -114.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.556 ' CE ' HD12 ' A' ' 80' ' ' LEU . 4.4 tpt -144.07 120.98 11.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -92.54 84.73 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -94.9 111.64 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.0 mt -119.68 137.74 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -110.0 129.88 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.2 mt -125.48 114.11 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 11.1 tpt180 -110.63 125.23 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.4 m -95.63 168.65 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -87.56 -57.97 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -122.16 165.35 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.534 ' OE1' HD13 ' A' ' 132' ' ' LEU . 19.4 pt-20 -62.6 -31.1 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -50.98 -46.77 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -75.94 -45.46 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.507 ' CE1' HG11 ' A' ' 68' ' ' VAL . 15.6 t80 -50.1 -60.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.55 -49.93 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -54.16 -64.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CD2' HD11 ' A' ' 15' ' ' LEU . 49.8 m95 -59.62 -63.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 6.6 tpp -34.84 -67.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.91 -40.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -62.93 -44.08 97.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.0 m -65.45 -48.06 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -54.75 -40.64 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.76 HD23 ' CD ' ' A' ' 114' ' ' ARG . 10.8 mt -64.1 -56.28 16.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -27.96 69.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -59.79 -29.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -103.57 -5.88 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.33 -35.72 4.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.76 ' CD ' HD23 ' A' ' 109' ' ' LEU . 7.5 ptp180 -60.93 146.2 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.667 HG22 HG23 ' A' ' 38' ' ' THR . 58.3 p -93.72 178.38 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.663 ' HA ' HD13 ' A' ' 109' ' ' LEU . 20.1 ttp -84.61 -26.4 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.8 -23.38 17.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.2 154.65 41.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 10.3 m -64.47 -39.52 93.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.3 m -44.75 -32.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.455 ' HA ' HD11 ' A' ' 109' ' ' LEU . 39.6 t80 -43.4 -67.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 119' ' ' SER . 4.6 t -49.55 -32.98 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 -32.18 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.95 -47.03 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.22 -38.84 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -74.28 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.89 -41.37 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.2 mt -64.03 -66.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.9 mt -36.04 -48.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.39 -61.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 134' ' ' LEU . 60.9 t80 -34.77 -50.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 97' ' ' GLU . 79.5 mt -50.61 -53.96 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -57.77 -46.97 83.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 131' ' ' PHE . 51.7 mt -44.94 -31.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -68.49 -39.26 81.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -55.7 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -155.01 156.62 36.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -54.08 173.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.42 -78.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -46.47 130.44 11.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -57.1 125.37 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.68 159.37 31.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 9' ' ' PRO . 79.6 mt -65.35 138.51 97.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 8' ' ' ILE . 54.4 Cg_endo -69.71 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -118.18 154.03 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.8 mt -110.23 138.23 46.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 37.5 mmtm -128.82 108.9 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 28.7 m-20 -174.38 141.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.6 t-80 -99.51 113.45 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.84 -174.96 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 24.0 mtt85 -82.09 116.05 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -118.44 120.49 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -143.62 139.69 29.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -129.36 133.43 25.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -1.37 8.37 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -82.17 161.99 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -75.88 52.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -100.57 -47.06 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -121.58 140.74 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -48.17 -59.61 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -111.06 -55.89 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' TYR . . . 126.07 -162.32 20.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 24.5 m-85 36.5 51.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -79.02 173.97 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -87.27 100.74 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.6 m-70 -125.29 170.09 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -112.85 125.6 54.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 t -119.2 146.35 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.3 t -139.62 119.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.3 t80 -95.25 134.54 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -118.32 157.68 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.6 mt-10 -31.11 -71.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.77 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -120.47 23.05 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 40' ' ' LEU . 3.8 m -139.44 167.3 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 39' ' ' THR . 4.6 tt -149.54 137.44 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -140.56 131.66 26.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.739 ' CE1' ' NE2' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -130.31 142.22 50.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -118.36 174.64 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' N ' HD11 ' A' ' 54' ' ' ILE . 47.9 mttp -78.82 -45.03 21.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.7 m -144.98 132.38 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ASP . 29.5 tt0 -40.98 -56.85 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -35.58 -54.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -39.76 -56.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -43.77 147.28 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.7 -44.57 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.359 -0.059 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 36.09 -102.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -160.73 136.69 6.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.649 0.737 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 44' ' ' LYS . 55.4 mt -42.94 -52.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.739 ' NE2' ' CE1' ' A' ' 42' ' ' TYR . 2.7 pt20 -144.46 137.54 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -117.87 105.3 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 81' ' ' VAL . 2.5 mt -116.52 163.36 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.507 ' ND2' ' O ' ' A' ' 38' ' ' THR . 2.3 t-20 -107.13 96.71 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ASN . 27.9 mt -34.69 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.425 ' N ' ' O ' ' A' ' 58' ' ' ASN . 19.0 ttpt -60.57 102.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.81 -39.0 2.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -57.83 178.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -107.28 164.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.22 123.03 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 50.2 t -128.58 95.9 31.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.74 106.0 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.57 35.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 98.5 t -66.63 129.09 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -131.27 87.32 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' SER . 76.4 t -51.1 -37.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' VAL . 10.8 t -35.12 -43.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -126.98 44.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' GLY . 79.1 mm-40 36.71 51.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -107.71 146.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -153.26 105.35 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.06 145.52 51.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -114.94 94.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 14.4 tttp -70.8 101.94 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' C ' HD22 ' A' ' 80' ' ' LEU . 12.3 tp -96.08 128.33 42.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 89' ' ' GLU . 4.2 mm? -121.18 113.78 20.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 57' ' ' LEU . 15.4 t -127.44 116.38 21.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 150.68 68.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -143.48 155.45 60.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -99.8 -38.73 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.62 -106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.6 tpt -150.79 139.07 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 t -112.05 101.37 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE1' HD11 ' A' ' 80' ' ' LEU . 2.9 tp10 -113.77 116.44 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.3 132.37 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -104.84 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.8 129.67 45.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -126.24 106.23 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.15 152.14 38.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 9.1 pt20 -62.62 -39.45 93.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 24.3 p30 -142.88 -178.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.93 -27.47 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -53.05 -60.8 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.01 -39.29 94.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 6.8 t80 -50.49 -51.92 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.96 -62.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -40.21 -61.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 40.5 m95 -61.42 -62.85 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.2 tpp -40.15 -68.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.54 -42.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.477 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -61.68 -50.91 61.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.83 -48.45 78.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -56.3 -52.64 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 121' ' ' TYR . 8.8 mt -51.66 -43.12 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.25 70.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.0 t -38.29 -40.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -99.38 -34.3 10.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.9 -37.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' LEU . 85.5 mtt180 -45.33 162.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.77 HG22 HG23 ' A' ' 38' ' ' THR . 76.7 p -145.02 160.78 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.54 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 27.5 mtm -49.01 -37.46 20.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.07 -39.39 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.32 155.01 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 122' ' ' THR . 80.7 p -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -46.08 -24.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 11.8 t80 -54.71 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 119' ' ' SER . 14.8 t -61.47 -31.36 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -57.8 -34.07 69.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -47.62 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.17 -43.07 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -65.09 -57.81 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.04 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.66 -59.29 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 mt -42.49 -53.02 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.24 -60.69 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ALA . 56.3 t80 -35.04 -48.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.98 -53.4 58.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -48.77 -39.55 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.96 -42.09 89.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -46.15 -53.22 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -87.2 166.21 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -104.2 91.12 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -59.46 -61.17 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.44 -175.6 31.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -148.45 169.13 20.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 t -118.02 96.13 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.1 121.63 2.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 10' ' ' GLU . 27.7 mm -40.64 103.23 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.82 109.85 2.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 8' ' ' ILE . 43.6 mt-10 -126.8 143.74 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.6 136.21 41.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.7 mmtm -122.19 107.84 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.7 m-20 -172.48 141.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.4 t-80 -99.79 113.21 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.85 -174.86 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -82.06 115.69 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.8 mt -117.8 119.91 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -133.88 132.05 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.01 108.99 18.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -4.07 13.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -83.59 -46.0 12.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -103.22 -53.11 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' LYS . 6.4 mp -80.45 115.92 20.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.6 m -107.54 -51.28 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.19 -48.72 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.1 tppp? -69.33 98.96 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.87 -83.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.524 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 74.3 m-85 -111.03 146.05 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -124.72 165.38 18.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -83.39 113.49 20.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 95.8 m-70 -135.43 168.56 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.33 122.17 45.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.2 t -118.04 142.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.66 122.93 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 25.6 t80 -95.18 117.43 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.5 tptm -100.94 157.44 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 28.0 mt-10 -32.99 -70.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.69 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -119.72 20.84 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -138.15 169.04 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' H ' HG22 ' A' ' 39' ' ' THR . 2.2 tt -160.89 131.93 5.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -148.77 157.28 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.5 p90 -138.52 164.45 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -140.51 171.03 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -64.28 -50.71 66.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -147.03 162.18 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -49.76 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -55.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.65 -60.61 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.41 151.54 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -44.23 0.53 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.299 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.23 -110.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -142.58 134.68 13.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.14 53.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.79 -40.3 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -165.6 113.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.63 142.57 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG11 ' A' ' 81' ' ' VAL . 3.8 mt -143.79 131.57 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LYS . 29.4 t30 -78.77 104.48 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 110' ' ' ALA . 29.1 mt -41.09 -27.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 7.3 mmtp -53.13 124.07 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.61 -31.13 4.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 p -47.48 171.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -113.02 145.81 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -129.96 105.72 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 13.8 t -114.02 96.06 40.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.653 0.74 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.226 . . . . 0.0 112.351 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.66 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG11 HD21 ' A' ' 132' ' ' LEU . 64.4 t -46.96 115.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' SER . 33.5 t30 -124.58 64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' CG2' HD22 ' A' ' 132' ' ' LEU . 53.0 t -37.43 -30.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 9.3 t -44.46 -54.38 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -114.84 47.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLY . 98.8 mm-40 35.04 46.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 56.8 tttt -107.75 151.85 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 16.6 m-85 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.08 157.18 45.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -130.61 101.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 65' ' ' VAL . 15.0 ttpt -70.69 118.68 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp -108.71 124.13 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.64 123.31 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.906 HG11 ' HB3' ' A' ' 57' ' ' LEU . 25.3 t -130.38 102.69 16.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.678 0.751 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.52 30.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m -143.45 160.47 51.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.82 37.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -81.53 -44.18 17.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.57 -117.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.1 tpt -151.06 127.03 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -110.22 95.89 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.57 113.32 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.04 145.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -112.77 122.19 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.1 mt -117.78 116.4 26.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -111.26 105.47 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.7 160.16 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -83.08 -49.06 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.19 163.13 27.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.66 -29.18 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -53.73 -59.05 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -63.62 -40.8 97.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -54.31 -62.11 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.37 -52.69 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -50.72 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 38.5 m95 -55.68 -64.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 103' ' ' TRP . 26.8 tpp -35.41 -69.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -61.43 -51.82 55.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.01 -50.4 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' CD ' ' SD ' ' A' ' 104' ' ' MET . 42.8 mtp85 -53.78 -39.91 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.1 mt -67.96 -46.54 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -66.59 -38.05 86.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -102.39 10.52 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.61 -32.49 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -51.4 149.24 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.69 HG22 HG23 ' A' ' 38' ' ' THR . 70.6 p -120.56 -178.95 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.6 mtm -76.44 -26.06 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.07 -29.62 44.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.08 159.79 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 m -81.21 -10.53 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 t -73.53 -19.97 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.642 ' HA ' HD11 ' A' ' 109' ' ' LEU . 21.6 t80 -53.3 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.9 t -50.29 -30.79 12.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -30.0 61.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -41.88 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.43 -39.52 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -69.08 -52.55 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.34 -38.47 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.38 -52.97 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.9 mt -52.58 -42.0 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -73.21 -60.13 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 130' ' ' ALA . 80.1 t80 -36.9 -54.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.498 HD21 HG11 ' A' ' 68' ' ' VAL . 59.3 mt -52.43 -46.35 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -56.79 -40.48 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.43 -44.36 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -44.47 -64.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -61.01 149.34 37.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -95.18 121.53 36.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -145.4 147.17 31.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.51 173.37 16.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -145.26 159.04 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -93.07 172.41 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 152.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 10' ' ' GLU . 16.8 mm -45.53 112.36 1.61 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.71 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.76 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.2 mt-10 -117.99 147.02 43.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.2 mt -102.68 133.5 47.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.4 mmmm -118.48 109.04 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.9 m-20 -175.11 142.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.6 t-80 -101.71 112.2 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.96 -175.31 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.97 115.75 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.86 123.94 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 6.4 t80 -141.47 134.64 29.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.61 105.0 4.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.9 Cg_endo -69.75 1.63 4.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' HA ' ' NE ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -64.59 154.14 37.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' ARG . 15.0 tptm -34.61 -46.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -83.07 142.81 31.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m 66.74 46.09 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -50.21 -50.62 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -47.68 147.0 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.93 -141.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 55.7 m-85 -70.43 122.34 19.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.4 ttm-85 -118.1 156.2 29.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 2.6 tt0 -65.27 113.79 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 84.9 m-70 -138.83 169.81 17.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -112.57 127.4 56.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.92 143.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -141.1 123.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.21 122.45 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.9 tptm -105.79 157.49 17.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.0 mt-10 -32.76 -67.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.673 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -122.7 18.93 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -135.01 168.41 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 41' ' ' SER . 4.1 tt -161.14 131.56 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' HD23 ' A' ' 40' ' ' LEU . 49.8 m -149.6 157.36 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -139.65 166.18 25.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -137.45 169.25 18.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -68.08 -56.34 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -128.64 142.89 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -47.03 -44.92 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 t0 -51.45 -59.52 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ASP . 28.5 mt-10 -34.81 -57.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.66 151.21 8.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.77 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.347 0.007 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.33 -103.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -146.54 125.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.7 129.37 17.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' PRO . 58.6 mt -36.57 -40.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.0 136.22 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -111.99 142.79 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -139.1 134.83 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 29.0 t30 -84.74 95.53 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASN . 21.6 mt -38.04 -45.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -52.13 111.76 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.34 -29.5 8.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.63 ' SG ' HG22 ' A' ' 81' ' ' VAL . 2.7 m -67.82 -176.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -119.75 159.52 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -132.6 130.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 60.5 t -132.21 99.84 15.93 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.1 Cg_endo -69.71 129.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.69 33.33 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.51 125.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 5.6 m-20 -117.45 79.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 132' ' ' LEU . 71.9 t -40.62 -25.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.5 t -53.27 -45.66 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.01 23.35 27.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 49.79 47.33 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -125.8 118.58 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -118.46 121.64 40.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -128.5 103.53 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -84.2 103.69 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.61 139.49 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 87' ' ' MET . 32.5 mt -128.77 101.77 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 82' ' ' PRO . 92.3 t -107.24 138.53 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.73 150.2 68.06 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -143.9 159.9 51.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.33 32.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -124.75 11.96 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.9 -98.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.611 ' CE ' HD22 ' A' ' 80' ' ' LEU . 3.8 ptm -173.14 158.75 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -107.72 108.11 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.83 111.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.8 mt -114.94 128.47 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.0 113.21 26.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -111.3 120.35 41.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.37 123.91 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.12 177.87 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -96.59 -42.55 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.94 175.73 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -52.23 -55.0 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.9 -43.18 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -49.94 -59.44 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.61 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -42.36 -67.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.9 m95 -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.6 tpp -36.73 -63.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.19 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.463 ' HA3' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.05 -47.0 91.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -47.37 77.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -59.29 -44.39 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.839 HD11 ' HA ' ' A' ' 121' ' ' TYR . 16.2 mt -63.89 -45.12 90.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.07 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -37.99 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.06 -17.07 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.89 -37.81 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -50.06 158.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.673 HG22 HG23 ' A' ' 38' ' ' THR . 44.1 p -133.44 161.48 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.51 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 63.2 mtm -52.73 -39.56 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.22 -26.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.58 148.97 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -64.71 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.4 t -44.8 -24.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.839 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.0 t80 -50.4 -65.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -50.53 -30.39 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -55.72 -30.01 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -48.78 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.11 -43.65 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -68.2 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.42 -45.36 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.09 -59.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.7 mt -41.18 -46.68 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.65 -61.14 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -38.51 -50.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.559 ' HB3' HG21 ' A' ' 70' ' ' VAL . 46.5 mt -47.82 -47.68 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.6 t -53.31 -46.0 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.0 -43.38 70.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -44.98 -53.87 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.83 148.21 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 81.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -179.901 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -83.52 139.97 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -115.77 166.24 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.53 165.99 38.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -169.51 109.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -53.39 166.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.2 -177.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' HG3' ' A' ' 10' ' ' GLU . 17.2 mm -38.42 103.28 0.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.67 0.747 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 8' ' ' ILE . 18.0 mt-10 -134.31 147.52 50.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 136.3 43.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.2 mmmt -121.01 108.95 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -173.74 142.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.8 t-80 -99.11 113.51 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.9 mt -88.94 -174.76 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -81.99 115.7 21.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mt -115.8 124.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 19.7 t80 -128.29 132.14 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -127.35 94.14 39.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.5 Cg_endo -69.79 -8.04 22.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 82.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -158.13 148.02 19.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mt -49.01 -64.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -137.88 129.59 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -162.03 153.55 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' N ' HD22 ' A' ' 25' ' ' LEU . 20.6 ttpp -119.93 97.71 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.89 -123.28 6.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 97.0 m-85 -98.58 161.06 13.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -135.17 163.38 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -85.63 98.35 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 11.0 m-70 -122.74 170.23 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -109.09 140.4 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.16 140.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.66 125.94 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 13.8 t80 -98.8 120.52 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.8 tptm -107.59 157.68 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 40.7 mt-10 -32.18 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.816 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -116.38 24.47 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.93 162.41 35.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 41' ' ' SER . 5.1 tt -154.38 138.23 16.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 40' ' ' LEU . 5.2 t -149.67 158.74 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -141.14 143.89 34.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 2.4 m-85 -123.88 172.6 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -89.93 -37.47 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -142.78 129.98 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -48.34 -23.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.21 -35.46 76.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 pt-20 -71.51 -16.83 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -98.29 151.68 37.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.78 -49.46 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.309 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.93 -107.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -139.35 123.01 10.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.74 151.56 69.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.43 -44.66 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -163.76 105.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -80.23 143.79 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 146.81 37.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -104.3 106.87 17.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 mt -48.14 -24.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -66.55 104.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.94 24.52 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.536 ' HB2' HG22 ' A' ' 81' ' ' VAL . 16.8 p -112.23 179.31 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.07 153.17 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.2 t -142.15 120.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 6.7 t -123.96 98.79 38.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.81 110.6 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.87 35.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.64 123.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -127.1 88.12 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.81 -40.36 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -42.44 -36.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -124.14 37.81 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.0 mm-40 35.06 38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -94.43 141.51 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -144.61 109.17 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.81 154.06 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.69 90.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.77 106.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 79' ' ' LEU . 10.1 tp -99.14 120.38 39.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.681 HD22 ' SD ' ' A' ' 87' ' ' MET . 9.2 mt -128.75 98.07 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 62' ' ' CYS . 67.7 t -100.28 134.05 21.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.469 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.1 Cg_endo -69.75 142.28 47.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 m -134.47 140.97 37.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -120.7 -15.75 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.92 -128.51 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.681 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.0 ttm -151.04 150.37 30.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -119.67 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' OE2' HD21 ' A' ' 80' ' ' LEU . 18.4 tt0 -93.89 113.15 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -121.11 143.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -112.42 121.63 45.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.87 114.14 26.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -112.72 107.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.51 ' SG ' HD22 ' A' ' 15' ' ' LEU . 78.0 m -79.15 -177.68 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -89.01 -55.19 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.6 169.65 16.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 20.3 pt-20 -59.02 -31.7 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -48.73 -56.87 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.75 -36.27 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 104' ' ' MET . 60.2 t80 -55.69 -55.11 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.62 -56.89 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -48.88 -67.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 43.1 m95 -54.6 -65.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 1.9 tpp -36.93 -70.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.42 -33.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.18 -53.14 11.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.3 m -55.77 -38.04 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -66.98 -49.33 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 121' ' ' TYR . 11.1 mt -57.06 -43.02 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.08 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 t -48.9 -46.22 42.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -90.51 -26.95 19.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.78 2.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.23 155.72 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 38' ' ' THR . 19.2 p -134.31 171.48 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.1 mtm -50.18 -32.97 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.48 -36.54 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.22 138.71 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -65.56 -20.08 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -66.46 -19.83 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.9 t80 -52.58 -58.17 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 t -59.79 -27.41 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 -31.1 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.26 -42.56 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.72 -41.9 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.1 -57.55 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.18 -39.71 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LEU . 60.9 mt -66.01 -64.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.6 mt -35.53 -47.63 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.64 -58.18 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.25 -50.39 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.9 mt -51.93 -46.67 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.08 -46.39 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.86 -40.85 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -47.36 -42.69 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -102.14 145.62 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 t -107.49 129.44 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 56.78 35.0 25.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.56 -170.07 54.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -169.87 108.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 74.78 40.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.38 169.31 11.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 9' ' ' PRO . 63.5 mt -44.53 136.66 4.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -129.21 142.73 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.4 mtmt -137.73 115.17 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -172.67 138.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -91.3 110.9 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.86 -174.79 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -81.95 115.65 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.5 mt -119.78 127.71 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -144.34 133.25 22.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -128.13 90.84 46.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.18 6.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -55.37 -40.69 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.2 116.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.433 HD12 ' HA ' ' A' ' 23' ' ' LEU . 10.5 tp -157.0 151.12 24.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m -81.86 -61.44 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.12 179.91 5.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -117.81 162.51 17.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 165.38 25.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -76.03 175.69 8.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -133.72 159.61 40.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -91.08 106.6 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -125.48 169.95 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.57 121.52 43.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.3 t -117.14 141.04 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.01 123.76 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.17 127.38 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.3 tptm -116.02 158.0 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 36' ' ' LYS . 14.9 mt-10 -29.32 -71.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.784 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -123.1 24.5 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.7 155.8 49.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -150.39 129.12 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -149.79 160.17 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.542 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 p90 -137.41 175.85 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 2.7 m-85 -145.91 174.49 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.811 ' HG3' HD11 ' A' ' 54' ' ' ILE . 19.1 mttt -92.93 -35.93 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.9 p -146.45 127.56 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -43.27 -23.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' SER . 20.0 m-20 -68.21 -45.11 74.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.1 pt-20 -60.77 -24.56 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -89.44 148.0 39.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.552 0.691 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.88 -51.07 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.321 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.38 -101.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -142.16 123.58 8.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.1 Cg_endo -69.77 139.38 40.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.811 HD11 ' HG3' ' A' ' 44' ' ' LYS . 93.0 mt -43.66 -43.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -166.42 134.12 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.608 ' C ' HD12 ' A' ' 57' ' ' LEU . 14.2 pt20 -109.74 139.34 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.666 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.7 OUTLIER -139.26 133.65 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -89.35 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 110' ' ' ALA . 12.2 mt -42.79 -32.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.89 95.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.58 -23.22 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 p -72.6 164.06 27.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.15 164.68 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.91 114.57 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -124.64 100.03 35.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.29 62.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.81 19.14 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 132' ' ' LEU . 46.8 t -50.96 114.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' VAL . 2.2 t-20 -124.67 74.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.2 t -37.56 -38.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' VAL . 41.0 t -34.81 -53.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -122.48 48.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' GLY . 12.9 mm-40 34.87 39.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.75 135.13 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CD2' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -145.44 112.29 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.2 t -137.54 146.62 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.46 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' HD21 ' A' ' 80' ' ' LEU . 35.0 tttt -84.32 100.03 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.815 ' C ' HD22 ' A' ' 80' ' ' LEU . 7.9 tp -88.22 142.23 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 79' ' ' LEU . 3.9 mm? -133.49 114.18 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 57' ' ' LEU . 15.0 t -122.96 102.89 37.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.47 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -145.16 159.67 48.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.46 8.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.95 -39.08 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.89 -103.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.51 128.94 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 m -112.24 80.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.57 117.52 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.46 144.83 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -107.46 129.47 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.2 114.18 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -111.71 126.1 54.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.5 m -95.24 153.24 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.21 -53.66 34.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.76 174.28 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -69.24 -28.75 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' N ' ' OE2' ' A' ' 97' ' ' GLU . 22.8 mm-40 -55.97 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -54.26 -40.98 68.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.39 -48.89 77.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.43 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HA ' HG22 ' A' ' 125' ' ' VAL . 85.0 mtt180 -51.35 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' MET . 41.4 m95 -54.37 -64.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 23.7 tpp -36.38 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.33 -39.78 4.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -59.36 -55.54 30.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.5 m -58.89 -30.77 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -69.95 -42.48 73.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.667 HD11 ' HA ' ' A' ' 121' ' ' TYR . 12.7 mt -68.66 -55.97 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.808 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -59.42 -27.25 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -57.29 -33.97 68.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -105.82 -2.04 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.93 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.9 150.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.784 HG22 HG23 ' A' ' 38' ' ' THR . 3.6 p -125.72 160.25 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.441 ' HE3' ' O ' ' A' ' 9' ' ' PRO . 8.0 ttm -42.54 -43.96 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' MET . . . -36.3 -36.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.79 136.73 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.0 t -58.27 -34.4 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' TYR . 3.6 m -48.42 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.667 ' HA ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -38.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -56.65 -33.02 65.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.9 t -54.91 -32.38 61.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -78.44 -44.5 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 125' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 102' ' ' ARG . 71.2 t -52.86 -43.54 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -69.05 -57.31 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.71 -40.09 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.36 -56.0 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.45 -36.65 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.49 -64.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -42.2 -43.99 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.464 HD21 HG11 ' A' ' 68' ' ' VAL . 71.9 mt -55.98 -48.63 75.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t -61.14 -35.45 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.7 mt -59.69 -26.58 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.76 -63.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.409 ' C ' ' HD3' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -65.56 161.62 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.892 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -40.97 129.23 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 m -89.7 -44.42 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.88 -151.65 10.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -129.14 155.14 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -141.67 150.65 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.9 148.47 4.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.8 mm -39.68 105.52 0.36 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.718 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.78 114.58 3.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.4 mt-10 -129.29 154.3 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -107.99 145.48 33.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 45.6 mmtt -131.24 105.94 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.9 m-20 -173.28 142.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.2 t-80 -103.78 113.74 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.21 -175.27 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -82.26 115.77 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -116.08 120.77 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 51.6 t80 -122.82 133.0 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.5 mmm180 -132.98 91.0 30.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.4 Cg_endo -69.71 2.5 3.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -80.78 -39.49 26.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -70.25 138.39 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 24' ' ' THR . 1.1 pt? -55.42 -176.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 14.2 t 35.81 32.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.778 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -41.14 101.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.88 -62.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.37 33.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -65.3 158.61 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.915 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -138.58 145.63 40.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.1 87.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 23.6 m170 -109.27 164.62 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -111.51 123.27 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 t -117.14 151.44 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.408 HG21 ' NZ ' ' A' ' 12' ' ' LYS . 98.3 t -147.23 122.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.6 t80 -95.24 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.2 tptt -98.15 157.38 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.6 mm-40 -33.16 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.96 HG23 HG22 ' A' ' 115' ' ' THR . 2.7 p -116.44 22.34 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.506 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -140.83 169.22 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 39' ' ' THR . 3.2 tt -159.49 134.56 8.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -149.08 148.25 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -132.43 165.35 24.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 m-85 -142.41 169.4 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -79.13 -37.68 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 m -136.07 138.48 42.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.62 -43.87 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.46 -53.23 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.93 -63.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -48.28 152.81 1.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.76 -45.75 0.4 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.3 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.53 -99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.3 122.88 18.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.77 117.96 5.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' PRO . 86.8 mt -34.48 -47.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -161.98 107.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -86.6 141.05 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HB3' HG11 ' A' ' 81' ' ' VAL . 14.8 mt -143.11 132.07 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 t-20 -80.26 93.19 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.431 HD21 HD21 ' A' ' 79' ' ' LEU . 17.2 mt -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -66.86 97.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.66 6.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -75.57 -175.68 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.83 157.21 20.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.8 t -136.04 129.31 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 21.6 t -134.52 99.91 12.76 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.78 127.34 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -121.01 78.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 132' ' ' LEU . 19.5 t -103.19 123.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.3 t-20 -120.24 73.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' SER . 85.8 t -36.65 -42.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' VAL . 4.6 m -36.17 -47.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -125.06 42.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' GLY . 21.7 mm100 36.6 48.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.385 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -97.48 117.21 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CD1' HG13 ' A' ' 68' ' ' VAL . 45.6 m-85 -126.71 93.33 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.0 m -121.46 145.9 47.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.09 107.66 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.912 ' HE3' HD21 ' A' ' 80' ' ' LEU . 35.7 tttp -81.98 106.43 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.529 ' C ' HD22 ' A' ' 80' ' ' LEU . 11.5 tp -97.63 131.08 44.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.1 mm? -126.24 109.75 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HB3' ' A' ' 57' ' ' LEU . 17.9 t -120.18 121.49 29.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 111.142 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.38 32.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.379 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -141.26 144.21 33.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -88.59 -24.43 22.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.68 -107.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.8 tpt -149.68 139.93 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -116.52 84.21 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -99.36 111.39 23.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.35 143.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.63 112.86 20.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.03 119.59 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -111.26 113.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.9 166.98 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -87.86 -50.77 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.81 159.01 37.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 14.4 pt-20 -58.51 -31.2 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -52.08 -49.02 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -74.13 -45.56 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -50.53 -47.68 57.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -57.9 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -47.23 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 52.8 m95 -53.16 -66.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' TRP . 5.2 tpp -37.57 -71.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.84 -40.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.47 74.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.95 -34.4 71.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -68.5 -39.43 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ARG . 93.6 mt -56.01 -58.84 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.77 74.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.8 t -45.47 -40.6 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.94 -18.51 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 125.1 -30.31 4.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 109' ' ' LEU . 8.6 ptm180 -70.16 155.72 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.96 HG22 HG23 ' A' ' 38' ' ' THR . 1.3 p -123.87 174.29 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 118' ' ' ASP . 76.1 mtm -55.21 -32.98 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' MET . 7.4 t70 -81.29 127.87 33.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 122' ' ' THR . 22.9 p -51.87 -35.31 44.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 123' ' ' SER . 9.5 t -50.2 -32.94 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.8 -66.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 119' ' ' SER . 5.2 t -48.42 -28.01 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 120' ' ' SER . 1.8 t -58.75 -34.77 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.17 -42.19 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.51 -39.83 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.88 -54.86 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.29 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.33 -64.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.93 -37.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.85 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.696 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 31.4 t80 -42.48 -57.95 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.517 ' CD2' HG11 ' A' ' 68' ' ' VAL . 95.8 mt -47.11 -44.5 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 t -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.04 -42.92 69.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.696 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 16.3 mm-40 -43.9 -50.59 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.436 ' NH1' ' HB3' ' A' ' 136' ' ' ARG . 14.7 mtp-105 -39.32 157.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -53.97 146.16 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -140.23 161.96 36.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 134.02 42.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -55.0 86.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' GLY . 48.1 t -76.54 105.4 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.8 -124.99 7.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.4 125.22 91.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -120.51 143.75 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -109.54 135.2 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -120.1 109.56 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -175.05 142.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.5 t-80 -100.55 112.25 24.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.68 -174.92 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -81.97 115.86 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -117.38 126.35 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t80 -150.91 133.22 15.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -130.03 83.44 63.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.6 Cg_endo -69.76 -28.85 24.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.07 -54.17 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -106.07 118.38 36.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.736 ' H ' HD12 ' A' ' 23' ' ' LEU . 3.6 mp -60.79 98.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -125.63 -56.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.97 170.23 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -80.66 -47.51 13.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' TYR . . . -160.37 172.78 36.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 58.6 m-85 -37.17 148.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtp85 -136.24 160.35 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -70.28 93.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 46.7 m170 -119.31 169.57 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -110.07 138.32 46.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.92 151.24 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -145.83 122.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 17.7 t80 -95.18 119.5 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.0 tptt -104.62 157.37 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB3' HG21 ' A' ' 115' ' ' THR . 45.7 mt-10 -33.21 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.5 22.53 12.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -139.48 167.79 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' H ' HG22 ' A' ' 39' ' ' THR . 2.0 tt -159.76 133.74 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -142.18 154.53 44.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -141.02 138.63 33.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -123.16 165.23 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -73.73 -40.69 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.7 p -141.34 144.64 34.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -53.98 -42.48 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -48.14 -51.45 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.59 -53.92 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.52 132.16 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.699 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.74 -46.79 0.34 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.352 -0.048 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.19 -100.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -148.12 113.19 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.8 128.36 15.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' PRO . 73.7 mt -34.11 -40.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 2.0 tm0? -174.97 114.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -91.64 138.66 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.76 145.13 31.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.6 t-20 -90.82 113.93 26.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.22 -42.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 5.1 ttpm? -57.45 107.56 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.99 -18.9 9.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' CB ' HG22 ' A' ' 81' ' ' VAL . 15.4 p -87.03 -175.62 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -124.79 162.42 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.61 ' O ' HG13 ' A' ' 64' ' ' VAL . 12.4 p -144.47 114.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.4 t -110.83 123.11 36.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.57 4.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.82 31.97 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.47 148.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -134.45 96.7 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.63 -33.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -42.57 -45.59 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.77 32.71 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 44.13 46.18 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -114.44 153.24 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -153.56 120.04 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -132.36 146.98 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.22 96.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -75.02 98.99 3.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.16 128.93 40.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 87' ' ' MET . 14.7 mt -119.89 104.81 10.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD12 ' A' ' 57' ' ' LEU . 73.8 t -106.61 125.62 32.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 135.96 31.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 p -131.94 142.56 45.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -117.97 -2.97 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.41 -102.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 80' ' ' LEU . 7.0 ttm -166.54 144.36 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -113.24 81.4 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -89.78 118.77 29.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.01 142.34 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -110.82 116.35 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -115.1 119.53 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -109.51 132.58 54.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -105.41 148.44 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.39 -57.21 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -129.63 178.62 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.04 -32.76 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -48.88 -54.31 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -69.48 -44.8 70.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -49.37 -59.69 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.6 -42.64 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -63.06 -67.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 30.4 m95 -55.71 -59.86 4.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.2 tpp -44.62 -64.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.9 -35.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.06 -53.42 14.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.4 m -54.05 -35.85 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -68.7 -37.08 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HA ' ' A' ' 121' ' ' TYR . 21.9 mt -69.38 -51.57 35.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.4 t -47.23 -43.06 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -94.54 -30.59 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.06 -25.11 2.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' LEU . 96.0 mtt180 -65.51 152.78 43.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 38' ' ' THR . 21.7 p -134.09 162.3 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 49.0 mtm -42.05 -34.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.41 -42.16 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.9 147.02 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.2 p -74.82 -2.37 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -79.76 -19.19 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.628 ' HA ' HD11 ' A' ' 109' ' ' LEU . 10.4 t80 -50.88 -48.31 60.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 t -66.31 -31.58 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t -56.4 -25.04 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 128' ' ' ILE . 27.3 mt-10 -86.31 -40.22 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.52 -38.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -72.73 -61.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.31 -42.22 14.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 124' ' ' GLU . 60.3 mt -64.44 -58.18 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.3 mt -46.61 -43.5 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.45 -64.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 130' ' ' ALA . 53.3 t80 -37.25 -51.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.2 mt -50.59 -47.84 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -54.95 -47.82 73.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.47 -38.83 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -49.57 -51.66 35.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -78.71 151.08 32.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -133.42 173.12 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -129.18 171.25 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.28 -131.06 6.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -113.36 82.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -108.95 159.71 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -130.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -61.05 126.66 86.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.14 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -136.91 138.91 41.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.36 143.55 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.4 mmmt -131.77 105.78 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -171.07 147.29 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.4 t-80 -103.7 110.4 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.81 -174.57 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 11.6 mmp_? -81.82 115.6 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.7 mt -114.58 124.41 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 12.4 t80 -133.79 132.07 40.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -129.1 90.91 43.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.78 2.82 3.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -66.3 -48.28 70.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -63.89 152.51 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 tp -71.54 -53.25 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -59.28 117.67 5.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.48 124.36 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -130.43 -51.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.23 -92.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 42.1 m-85 -138.4 140.61 39.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 5.7 ttp180 -128.5 156.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.4 97.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.7 m170 -122.51 169.81 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -114.83 127.99 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 34' ' ' VAL . 92.6 t -121.92 152.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 34' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 33' ' ' VAL . 97.0 t -149.27 126.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.2 t80 -95.27 128.31 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.1 tptp -110.53 157.82 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' LYS . 30.3 mt-10 -30.9 -61.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.507 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -130.52 14.4 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.8 163.78 22.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 59' ' ' LEU . 3.8 tt -154.02 131.82 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -149.37 169.96 19.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -152.32 167.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.575 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.16 160.02 41.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 54' ' ' ILE . 42.1 mtmt -55.91 -34.7 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -154.67 153.26 31.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -58.01 -38.65 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -52.94 63.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -41.91 -53.61 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -58.88 150.92 57.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.72 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.321 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.25 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' PRO . 19.2 t70 -150.15 122.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 132.84 24.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.602 HD11 ' N ' ' A' ' 44' ' ' LYS . 41.5 mt -50.24 -36.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 57' ' ' LEU . 4.5 tm0? -175.0 139.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -125.09 140.4 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -138.64 146.58 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -86.73 105.86 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' CD2' HD21 ' A' ' 79' ' ' LEU . 57.8 mt -53.85 -21.07 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 99.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -35.04 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -52.96 177.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -116.04 154.93 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.32 120.15 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 16.5 t -122.96 94.77 46.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.716 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.74 102.75 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.98 34.61 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 6.7 m -73.36 146.11 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -130.7 88.52 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.8 -37.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -46.3 -41.4 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.59 32.37 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 40.26 44.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 39.3 tttt -117.06 146.81 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -146.34 121.53 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.23 149.05 50.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -128.64 94.42 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -74.42 113.33 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 59' ' ' LEU . 10.4 tp -98.13 109.02 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.22 115.28 30.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.34 116.31 37.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 139.16 39.66 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -139.12 147.34 53.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.683 0.754 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.85 37.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -92.88 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.55 -134.91 2.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.57 130.23 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 m -124.67 118.0 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CE2' ' A' ' 91' ' ' TYR . 1.8 pp20? -117.13 156.5 27.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.0 mt -140.5 123.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' TYR . . . . . 0.589 ' CE2' ' OE2' ' A' ' 89' ' ' GLU . 39.0 m-85 -97.64 124.02 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.9 mt -123.16 115.44 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -109.76 114.12 27.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.0 m -80.2 174.88 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -92.41 -53.05 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.03 168.49 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.92 -29.67 67.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -55.79 -49.8 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -71.44 -46.63 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 7.4 t80 -48.53 -57.12 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -41.76 -63.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 65.7 m95 -61.41 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 103' ' ' TRP . 12.4 tpp -37.72 -66.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.63 -36.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.18 -55.52 15.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -56.58 -40.45 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.83 -32.99 68.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 116' ' ' MET . 18.5 mt -73.45 -56.06 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.57 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -43.33 -48.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -89.46 -8.92 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.11 -8.1 27.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.49 149.71 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 38' ' ' THR . 63.3 p -101.55 164.9 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.61 ' HA ' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp -78.73 -20.19 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.81 80.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -54.28 142.0 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 122' ' ' THR . 2.6 m -54.58 -36.86 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 t -46.03 -29.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.49 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.0 t80 -45.89 -53.88 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 119' ' ' SER . 4.7 t -57.5 -35.94 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.8 t -50.15 -33.17 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.06 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.5 t -45.43 -40.23 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.38 -62.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.1 -36.06 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.0 mt -70.17 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 35.8 mt -43.26 -49.49 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 134' ' ' LEU . 51.7 t80 -38.17 -51.19 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.85 -51.89 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -54.02 -45.33 71.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 131' ' ' PHE . 53.7 mt -50.09 -45.76 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.91 -59.39 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -74.25 175.85 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 59.84 44.01 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -109.95 115.46 29.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.85 79.42 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -102.73 86.97 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -54.25 -47.81 71.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.13 -153.51 7.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.614 HG21 ' HE3' ' A' ' 36' ' ' LYS . 30.1 mm -42.08 103.43 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.77 106.47 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.311 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 8' ' ' ILE . 8.0 mt-10 -122.49 158.82 28.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.7 mt -106.16 153.53 21.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 14.5 mmtp -138.01 106.52 5.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.8 148.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.7 t-80 -104.41 113.57 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.2 mt -88.01 -174.99 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 64.6 mmt-85 -82.05 115.69 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.9 127.31 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 27.2 t80 -138.89 136.02 35.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -134.12 86.95 35.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . 53.7 Cg_endo -69.8 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' O ' HD23 ' A' ' 23' ' ' LEU . 17.7 tpt180 -57.72 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' PRO . 23.8 mmtm 60.41 25.35 14.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 21' ' ' ARG . 3.7 mm? -122.31 134.78 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.12 89.77 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.09 -44.43 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tptm 70.0 46.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . . . 157.85 -128.55 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 27' ' ' GLY . 45.7 m-85 -155.21 153.47 30.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.952 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 31.5 mtm180 -101.37 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.44 91.58 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 9.1 m170 -117.26 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -109.85 130.83 55.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.2 t -122.4 145.77 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.4 t -139.57 122.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 24.5 t80 -95.23 127.35 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE3' HG21 ' A' ' 8' ' ' ILE . 14.8 tptm -113.1 157.49 21.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 16.0 mt-10 -32.44 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -117.01 24.65 11.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 40' ' ' LEU . 8.1 m -141.75 168.14 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 59' ' ' LEU . 2.2 tt -155.38 139.53 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 40' ' ' LEU . 75.6 m -149.35 156.7 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -152.16 152.1 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -128.21 160.05 33.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -60.37 -36.48 78.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -149.14 135.48 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -46.95 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -53.53 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -44.59 -58.05 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.95 151.2 4.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.73 -48.28 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.329 -0.033 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.49 -102.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -147.32 124.9 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.93 29.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -43.78 -53.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.9 mt-30 -146.61 109.32 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.46 122.02 34.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -141.99 153.63 44.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -98.47 106.65 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 40' ' ' LEU . 32.8 mt -38.45 -41.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -42.54 120.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.5 -36.54 4.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.527 ' CB ' HG22 ' A' ' 81' ' ' VAL . 11.1 p -61.49 173.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -115.71 151.0 35.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 64' ' ' VAL . . . . . 0.44 ' O ' HG13 ' A' ' 64' ' ' VAL . 7.5 p -134.17 120.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -119.69 125.93 27.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -127.21 33.65 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 2.3 m -85.78 146.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -132.57 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -37.17 -43.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 m -39.9 -48.11 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -109.01 40.52 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' GLY . 18.5 mm-40 34.84 52.4 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 32.9 ttpt -122.55 153.88 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 1.5 m-85 -158.26 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.78 141.21 51.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -111.7 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -72.41 103.43 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 59' ' ' LEU . 10.6 tp -98.72 133.14 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mt -134.64 98.92 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.755 HG21 HD12 ' A' ' 57' ' ' LEU . 59.8 t -98.98 122.21 53.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 147.73 63.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.1 m -151.52 143.01 15.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.42 8.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.64 -24.1 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.41 -136.19 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 9.5 tpt -136.46 128.79 30.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -102.99 98.19 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -104.11 117.37 34.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.0 mt -122.48 135.49 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.1 115.51 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.5 mt -112.13 122.48 47.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -122.24 124.41 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 15' ' ' LEU . 81.6 m -92.46 169.69 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.49 -41.13 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -132.29 176.2 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.3 OUTLIER -73.21 -29.3 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 18.4 mm-40 -55.33 -61.82 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.18 -37.54 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 6.1 t80 -59.03 -67.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.08 -48.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -52.89 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 57.0 m95 -55.88 -56.71 17.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.2 tpp -41.54 -64.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.62 -30.77 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.24 -52.55 26.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 62.8 m -61.6 -37.29 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.32 -37.93 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 121' ' ' TYR . 56.4 mt -70.2 -54.16 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.47 90.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 t -40.75 -42.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -96.76 -22.32 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 -36.62 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 109' ' ' LEU . 75.5 mtm180 -49.48 160.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.561 HG22 HG23 ' A' ' 38' ' ' THR . 21.0 p -134.27 -175.01 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 42.4 mtm -83.38 18.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.25 13.94 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -94.4 27.15 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.7 t 38.43 31.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 16.8 m -134.02 -33.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.494 ' HA ' HD11 ' A' ' 109' ' ' LEU . 3.7 t80 -38.19 -61.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -49.59 -34.22 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' SER . 1.5 t -53.75 -38.12 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.39 -53.92 12.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -43.46 -42.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.54 -58.11 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.44 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' LEU . 71.1 mt -55.41 -62.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 47.7 mt -37.06 -43.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.65 -61.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -38.92 -47.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.3 -47.44 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -52.84 -35.1 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.48 -42.97 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -46.09 -63.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.13 146.62 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t 51.15 46.4 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -121.52 111.36 17.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.59 149.41 8.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -152.7 150.42 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -122.53 172.49 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -61.86 177.21 5.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.481 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 ' HG3' ' A' ' 10' ' ' GLU . 35.3 mm -36.37 102.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 111.18 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.8 Cg_endo -69.76 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.679 ' HG3' HG22 ' A' ' 8' ' ' ILE . 31.2 mt-10 -120.78 138.1 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -95.95 137.2 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 34.1 mmtm -122.73 109.0 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.4 m-20 -175.01 144.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.11 114.76 29.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 94' ' ' CYS . 4.3 mt -89.7 -174.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.92 115.65 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -114.33 127.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' C ' ' CD1' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -150.65 136.18 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -129.81 129.44 23.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -44.54 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.27 167.55 17.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tp 63.96 52.38 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 24' ' ' THR . 9.7 t -128.67 84.53 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.15 -56.82 13.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -117.66 -60.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.52 -88.7 0.33 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 51.8 m-85 -64.46 130.63 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -146.27 168.99 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -79.87 106.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 7.1 m80 -130.32 170.21 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -108.16 131.01 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.69 148.23 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.52 123.48 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.0 t80 -95.04 133.17 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.2 tptm -119.13 157.67 27.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 38.8 mt-10 -32.8 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.483 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.5 24.53 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.614 HG22 ' N ' ' A' ' 40' ' ' LEU . 30.0 m -141.79 166.43 24.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.614 ' N ' HG22 ' A' ' 39' ' ' THR . 5.6 tt -162.03 134.6 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 40' ' ' LEU . 54.6 m -149.39 157.08 43.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.647 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.0 p90 -133.34 172.23 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -149.26 162.15 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.2 ptmm? -94.76 -34.74 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -124.59 113.92 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' O ' ' CD ' ' A' ' 46' ' ' GLN . 5.8 tm0? -48.04 -19.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.27 -34.88 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -58.98 -28.23 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -100.83 163.79 17.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.688 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.767 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.75 -0.25 6.07 Favored 'Cis proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.343 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -19.96 -92.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.22 128.73 7.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.77 153.56 68.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 44' ' ' LYS . 92.3 mt -61.4 -44.45 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.448 ' OE1' HD21 ' A' ' 57' ' ' LEU . 2.8 tt0 -160.24 108.89 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -86.41 138.79 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.591 ' HB3' HG11 ' A' ' 81' ' ' VAL . 1.3 mt -141.18 129.23 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 60' ' ' LYS . 30.4 t-20 -82.46 108.96 16.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.0 mt -51.76 -35.28 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -61.18 99.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -27.42 5.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.89 -179.29 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.66 154.17 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -131.55 119.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.85 94.75 42.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 119.36 6.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.38 82.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.37 125.57 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -119.11 73.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.95 -35.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -42.92 -41.82 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -123.59 40.96 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 72' ' ' GLY . 33.7 mm-40 36.82 47.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -103.41 153.02 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 48.8 m-85 -156.02 106.82 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -123.97 144.03 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -121.82 104.69 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.3 tttt -78.97 139.14 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 78' ' ' LYS . 6.2 mp -124.85 110.85 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.21 97.12 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 57' ' ' LEU . 41.1 t -105.48 102.83 39.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.11 24.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 m -127.57 154.61 77.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -113.15 -35.13 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.29 -133.13 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.3 tpt -148.1 124.07 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 t -104.28 92.51 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 6.5 pt-20 -101.26 112.03 24.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.7 mt -114.31 148.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -119.12 125.09 48.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -122.32 119.5 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.538 ' SG ' HD22 ' A' ' 15' ' ' LEU . 86.9 m -89.5 173.96 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.42 -54.94 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -130.85 172.81 11.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 8.5 pt-20 -62.41 -33.1 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -47.29 -58.6 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -68.27 -48.59 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 104' ' ' MET . 4.9 t80 -46.27 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -37.96 -58.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -44.83 -64.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.6 m95 -56.65 -63.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.414 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 8.7 tpp -38.45 -69.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.09 -33.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.071 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.84 -52.58 14.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.6 m -55.59 -40.9 72.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -61.01 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.581 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.4 mt -61.99 -52.89 62.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.23 83.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.8 t -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 140.46 -26.34 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -56.0 150.12 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.483 HG22 HG23 ' A' ' 38' ' ' THR . 65.0 p -118.1 155.79 29.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 26.2 mtm -50.22 -32.74 17.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.93 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -67.73 141.24 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.7 m -65.84 -5.4 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -80.62 -11.86 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.581 ' HA ' HD11 ' A' ' 109' ' ' LEU . 25.9 t80 -58.92 -72.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 t -52.6 -32.51 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -54.1 -28.46 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -47.86 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.15 -39.17 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -72.66 -53.18 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.52 -34.68 50.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 84.2 mt -72.32 -54.57 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.95 -48.76 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.46 -57.4 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 134' ' ' LEU . 71.7 t80 -41.5 -46.38 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.461 HD12 ' OE1' ' A' ' 97' ' ' GLU . 90.4 mt -57.97 -52.15 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.7 t -53.46 -44.43 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt -45.46 -33.18 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.33 -40.56 77.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -54.94 -175.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -51.85 122.56 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -149.39 161.57 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -168.53 41.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 p -163.85 167.06 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -157.2 129.2 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.87 107.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.602 HG21 ' HE3' ' A' ' 36' ' ' LYS . 37.6 mm -42.95 103.11 0.3 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.71 102.74 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 8' ' ' ILE . 40.3 mt-10 -118.6 150.67 39.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -107.78 139.68 41.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.0 mmtp -127.5 108.17 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-20 -173.58 145.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 7.7 t-80 -101.49 113.68 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.5 mt -89.5 -174.92 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -81.97 115.7 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 mt -118.24 131.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.577 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 78.2 t80 -137.88 131.74 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -134.99 92.78 18.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.5 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -175.23 -176.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.683 ' O ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -42.55 159.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -37.21 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 22' ' ' LYS . 11.6 t -166.19 -176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.99 156.58 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -165.51 -178.91 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.93 150.95 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 86.5 m-85 -53.56 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -161.06 175.97 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 60.3 tt0 -101.95 83.09 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 17.5 m-70 -103.25 165.1 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.472 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 53.1 t-105 -101.67 127.84 48.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 t -120.52 136.48 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.37 118.94 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.25 134.6 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.2 tptm -122.15 157.88 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' LYS . 41.6 mt-10 -31.39 -71.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.591 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -119.03 20.88 12.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.61 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.446 HD23 ' C ' ' A' ' 40' ' ' LEU . 7.2 tt -151.0 122.28 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.73 160.63 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CE1' ' HB ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.09 155.7 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -138.56 174.52 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -64.46 -20.9 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -174.4 163.0 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.472 ' N ' ' HB2' ' A' ' 32' ' ' TRP . 32.7 tt0 -63.6 -45.32 90.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.1 m-20 -53.26 -59.2 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ASP . 36.6 mm-40 -35.57 -51.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -51.25 161.89 0.71 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.714 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.8 -45.4 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.29 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.09 -101.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -164.49 133.05 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.728 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.592 ' N ' ' CE2' ' A' ' 43' ' ' TYR . 53.7 Cg_endo -69.79 129.58 17.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 42' ' ' TYR . 19.6 mt -33.25 -44.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -175.31 136.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.4 pp0? -109.21 167.02 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' HB3' HG11 ' A' ' 81' ' ' VAL . 1.3 mt -149.49 110.62 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.29 93.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -48.94 -19.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.84 82.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.71 12.4 6.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.05 176.61 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.13 141.84 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -117.45 123.0 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 94.8 t -124.96 96.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.73 118.89 5.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -115.67 32.71 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.89 143.71 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -131.9 85.13 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.3 t -43.97 -36.56 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' VAL . 73.5 m -35.51 -42.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -128.63 48.01 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLY . 15.5 mm100 36.58 45.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.79 134.25 51.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -137.47 117.91 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.15 151.59 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.28 101.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' HD13 ' A' ' 80' ' ' LEU . 9.8 ttpt -82.14 123.99 29.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -107.53 108.96 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.569 HD13 ' HE3' ' A' ' 78' ' ' LYS . 8.1 tp -108.98 106.4 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG11 ' HB3' ' A' ' 57' ' ' LEU . 73.4 t -111.48 102.81 54.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -158.2 152.46 20.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.11 6.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -91.43 -42.05 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' MET . . . 157.25 119.63 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' GLY . 8.5 tpt -34.52 136.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 m -128.78 107.4 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 3.9 pt-20 -113.88 116.71 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 92' ' ' LEU . 85.3 mt -112.6 138.6 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -102.69 119.19 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 90' ' ' ILE . 22.0 mt -120.01 114.3 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 94' ' ' CYS . 13.9 tpt85 -108.43 126.05 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' CYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 78.2 m -93.92 161.5 14.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.38 -51.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -32.87 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -51.58 -50.09 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -72.11 -47.62 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.29 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.96 -53.67 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -49.31 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 51.5 m95 -56.76 -63.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 tpp -39.56 -68.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.14 -38.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.69 -56.89 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 97.9 m -54.77 -36.5 64.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 -63.87 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.67 -48.92 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.84 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -47.26 -27.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -110.61 -15.03 13.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.31 -29.45 5.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -55.0 162.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.591 HG22 HG23 ' A' ' 38' ' ' THR . 76.1 p -127.79 150.5 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.9 ttm -46.23 -42.59 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.38 -39.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.16 140.49 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' THR . 22.7 t -64.64 -18.39 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.0 t -63.22 -26.83 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -49.49 -61.69 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 119' ' ' SER . 2.3 t -54.27 -34.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 t -55.91 -28.3 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 128' ' ' ILE . 20.1 mt-10 -83.56 -35.15 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.82 -37.5 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.68 -53.99 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.59 -46.67 58.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 124' ' ' GLU . 55.5 mt -59.26 -59.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.44 -45.38 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.63 -57.59 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -40.54 -58.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.5 mt -44.01 -47.24 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.2 t -54.26 -35.88 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.21 -35.02 74.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.3 -33.23 71.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -54.54 147.08 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -45.34 -50.63 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.54 167.49 11.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -115.97 33.19 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.812 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -142.19 170.66 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.05 -123.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 9' ' ' PRO . 12.5 mt -61.98 133.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.74 95.78 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -117.6 139.61 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -103.77 149.08 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -136.45 105.87 6.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.4 m-20 -173.29 152.0 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.8 t-80 -111.2 114.61 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -90.43 -174.94 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 9.6 mpt_? -82.28 115.73 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -116.97 124.39 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -134.81 135.81 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -130.27 109.62 16.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.558 0.694 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -165.35 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 58.93 44.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -118.62 162.52 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 23' ' ' LEU . 6.2 mp -93.19 -56.32 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -86.73 138.64 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.56 91.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -120.82 112.42 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.64 -155.77 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 72.3 m-85 -51.35 110.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.944 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 5.6 tpm_? -108.28 150.06 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 47.1 tt0 -61.94 95.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 5.4 m-70 -120.67 169.18 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.428 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 55.5 t-105 -112.79 136.37 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.46 146.3 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.5 t -141.22 127.13 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 16.1 t80 -98.44 121.5 40.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 55.0 tptt -108.45 157.51 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 7.3 mm-40 -32.68 -73.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.642 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.79 23.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 40' ' ' LEU . 14.0 m -139.97 168.21 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -160.33 137.36 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 40' ' ' LEU . 6.2 m -148.76 161.49 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -148.81 158.34 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.585 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -134.96 171.82 13.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' HB3' HD11 ' A' ' 54' ' ' ILE . 11.3 ptpt -74.28 -38.1 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -140.98 152.55 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.8 mp0 -63.3 -43.77 96.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.28 -52.41 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -42.27 -52.63 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.2 132.19 24.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.9 Cg_endo -69.7 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.393 -0.029 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.45 -99.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.85 124.77 3.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 44' ' ' LYS . 74.6 mt -49.92 -44.6 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -161.43 112.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.686 ' O ' HD23 ' A' ' 57' ' ' LEU . 10.3 mt-30 -98.58 140.92 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLN . 11.5 mt -147.96 157.93 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -99.1 109.3 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 40' ' ' LEU . 19.0 mt -52.33 -29.6 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -68.39 88.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.03 -19.37 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -79.39 172.96 13.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.93 156.6 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.83 121.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 87.3 t -126.94 98.21 31.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.48 34.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 4.8 m -73.43 147.19 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 71' ' ' SER . 61.1 t-20 -133.77 92.03 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -53.59 -20.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 69' ' ' ASN . 5.8 t -54.88 -52.31 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.95 48.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' GLY . 55.5 mm-40 35.57 52.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -115.05 144.44 43.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -151.8 112.45 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.3 138.39 44.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 104' ' ' MET . 26.6 mt -109.62 117.73 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 78' ' ' LYS . . . . . 0.909 ' HE2' HD13 ' A' ' 80' ' ' LEU . 4.7 tmtt? -92.31 109.37 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -95.06 129.83 41.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.909 HD13 ' HE2' ' A' ' 78' ' ' LYS . 7.4 tp -124.21 107.35 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 57' ' ' LEU . 27.0 t -117.49 109.32 42.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 149.35 66.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 83' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 2.3 m -139.46 151.32 66.5 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.67 14.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -129.2 -30.49 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 174.84 106.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE1' HD12 ' A' ' 80' ' ' LEU . 2.7 ppp? -50.28 166.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.413 ' N ' ' SD ' ' A' ' 87' ' ' MET . 1.2 t -132.94 111.21 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.1 118.5 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.6 mp -112.71 141.17 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -116.25 106.56 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -105.83 122.38 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -112.19 127.4 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.7 m -96.68 166.73 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.91 -62.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -116.71 169.81 9.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 7.2 pt-20 -68.77 -27.28 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -56.63 -44.27 81.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.73 -47.51 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.517 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 4.4 t80 -50.11 -42.56 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.84 95.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -56.88 -55.28 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 46.4 m95 -66.08 -67.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.472 ' HE1' HG23 ' A' ' 77' ' ' ILE . 14.8 tpp -37.43 -63.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.46 -37.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.453 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -69.37 -56.18 9.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.0 m -52.49 -42.05 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.1 -32.27 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.453 HD12 ' HA2' ' A' ' 106' ' ' GLY . 17.4 mt -72.79 -55.4 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.14 94.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t -40.63 -44.04 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -90.95 -21.46 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.469 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 131.4 -34.05 2.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -54.25 163.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.642 HG22 HG23 ' A' ' 38' ' ' THR . 81.5 p -134.57 157.5 46.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.3 mtm -49.36 -40.14 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.71 128.85 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 121' ' ' TYR . 50.6 m -47.44 -45.55 25.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.2 t -38.27 -28.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.3 t80 -47.56 -54.76 10.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 119' ' ' SER . 7.0 t -60.43 -31.24 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -57.05 -34.31 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -76.02 -44.03 41.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.8 -37.86 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -73.64 -58.02 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.32 -37.76 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.27 -58.92 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.36 -41.76 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -74.5 -61.58 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 134' ' ' LEU . 77.7 t80 -37.11 -55.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 48.8 mt -47.49 -45.63 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.4 t -59.32 -41.35 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 134' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 131' ' ' PHE . 36.7 mt -57.63 -43.43 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -50.51 -41.64 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -87.62 149.02 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -67.14 106.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -77.12 120.71 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.59 173.72 26.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -166.83 143.61 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -105.17 120.06 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.97 -173.85 22.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.59 HG21 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm -40.94 102.57 0.27 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 114.97 3.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.0 mt-10 -136.24 148.45 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 35' ' ' PHE . 1.9 mt -105.87 134.72 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 1.6 mmmm -117.56 108.48 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.1 m-20 -174.95 143.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.1 t-80 -98.74 113.52 25.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.08 -175.09 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.1 tpm_? -82.11 116.13 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mt -118.81 127.36 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 5.4 t80 -145.45 132.04 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 29.5 mtp180 -133.42 107.09 12.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.548 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo -69.73 -24.11 30.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 17.8 ptt180 -81.71 81.03 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' LEU . 21.4 tptm -154.05 140.15 18.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -34.85 -60.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -94.83 147.8 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.707 HD23 ' H ' ' A' ' 25' ' ' LEU . 0.2 OUTLIER -83.24 92.57 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -115.62 152.63 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.1 -150.86 27.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 99.2 m-85 -68.66 148.93 49.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -134.11 178.28 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -98.1 101.05 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 10.4 m-70 -125.88 167.75 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 66.9 t-105 -106.57 139.81 40.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.89 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.3 t -143.66 123.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 14.3 t80 -95.54 132.41 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.0 tptm -115.92 157.83 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.9 mt-10 -31.87 -72.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.65 22.5 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.19 165.06 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 41' ' ' SER . 6.1 tt -155.86 125.48 6.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' HD23 ' A' ' 40' ' ' LEU . 71.8 m -140.73 153.35 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -140.55 173.32 11.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -144.51 170.16 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.5 pttm -78.48 -37.23 43.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 m -132.7 137.6 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.524 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.3 tt0 -62.06 -27.68 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' CA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -49.45 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.684 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -38.08 151.89 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.73 -48.54 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.36 -0.023 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.03 -94.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' PRO . 7.5 p-10 -143.47 118.56 6.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.81 15.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HB3' ' A' ' 44' ' ' LYS . 96.3 mt -41.67 -42.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -159.48 128.91 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.5 pt20 -111.17 131.53 55.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -140.44 128.24 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 39.0 t-20 -82.8 108.26 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.9 -39.55 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -49.34 96.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.69 21.94 6.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.9 p -107.84 -174.93 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -109.45 152.6 25.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.4 121.86 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.15 95.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.91 13.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -111.6 25.77 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 89.5 t -66.84 131.28 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' VAL . 24.3 m-20 -133.38 78.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ASN . 94.8 t -35.1 -36.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -41.09 -56.48 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.35 36.67 4.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 37.8 47.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -106.47 155.26 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -153.27 105.19 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.24 140.14 52.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 79' ' ' LEU . 40.4 mt -117.75 96.5 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -68.67 122.1 17.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -116.41 112.81 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.51 107.27 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.789 HG21 HD12 ' A' ' 57' ' ' LEU . 92.7 t -106.8 128.0 26.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.72 26.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -137.84 140.17 28.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -0.84 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -119.15 -20.58 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.59 -143.9 7.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.5 ttm -138.16 135.36 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -108.65 81.78 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -94.13 115.99 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.91 150.52 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -113.77 109.88 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.97 114.18 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -110.62 100.76 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.1 m -70.73 167.94 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.19 -50.99 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -125.48 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 12.7 pt-20 -68.36 -28.29 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -55.0 -60.66 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -62.57 -44.2 96.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' TYR . . . . . 0.641 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 4.1 t80 -49.92 -56.13 11.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -51.64 -66.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ALA . 78.7 mtt180 -35.57 -66.98 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 37.3 m95 -56.24 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.9 tpp -38.15 -66.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.82 -40.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.65 -56.5 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.1 m -51.92 -41.54 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.94 -39.69 94.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.1 mt -66.84 -42.96 84.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.24 63.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -49.87 -47.28 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.18 -32.63 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.33 -23.28 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LEU . 94.3 mtt180 -60.15 152.84 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 38' ' ' THR . 80.9 p -125.9 149.56 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 28.4 mtm -43.88 -32.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.44 -39.92 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.64 163.89 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.7 m -79.88 -23.93 41.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 m -53.99 -34.07 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.73 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.7 t80 -38.68 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -52.88 -32.08 43.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 t -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -54.29 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.32 -38.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.39 -57.82 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.86 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.84 -62.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 23.3 mt -39.85 -47.1 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 130' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.82 -59.91 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 130' ' ' ALA . 78.6 t80 -36.4 -53.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 95.3 mt -44.18 -44.04 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 133' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.8 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.4 mt -49.76 -32.23 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -70.57 -42.78 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -45.76 171.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 137' ' ' THR . 17.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -170.4 146.11 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 p -143.22 134.15 25.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.91 124.61 6.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -111.29 125.86 54.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -63.31 110.66 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.18 173.37 23.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 10' ' ' GLU . 47.7 mm -38.22 101.92 0.24 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.75 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' HG22 ' A' ' 8' ' ' ILE . 15.4 mt-10 -116.94 151.17 37.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.19 140.73 35.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 27.5 mmtm -124.35 105.84 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.3 m-20 -174.49 142.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.5 111.93 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.04 -175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 8.1 ttm180 -81.95 115.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -115.22 137.32 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.3 t80 -152.58 136.88 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 18.5 mtm105 -143.71 105.04 4.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.3 Cg_endo -69.75 -6.01 17.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -53.81 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -47.73 164.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -83.79 -54.06 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -76.81 130.51 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -48.86 107.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -99.32 -37.95 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 -102.48 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 17.6 m-85 -139.98 146.93 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.11 170.22 16.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.94 108.65 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 67.0 m-70 -131.64 169.68 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -111.98 128.44 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -123.11 145.74 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.74 126.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 11' ' ' LEU . 21.7 t80 -96.78 119.89 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HE3' HG21 ' A' ' 8' ' ' ILE . 16.7 tptm -104.09 157.72 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 36' ' ' LYS . 24.9 mt-10 -32.4 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.0 24.47 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.4 m -143.23 166.35 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' H ' HG22 ' A' ' 39' ' ' THR . 4.9 tt -159.11 124.65 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' HD23 ' A' ' 40' ' ' LEU . 26.2 m -140.23 159.32 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -142.9 170.3 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.548 ' N ' ' CD1' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -143.85 167.49 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -70.02 -18.49 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.6 t -163.57 149.81 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' CD ' ' C ' ' A' ' 46' ' ' GLN . 5.9 tm0? -59.78 -39.88 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.08 -55.72 24.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -41.11 -52.8 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.53 133.26 6.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.4 Cg_endo -69.77 -39.42 1.34 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.321 -0.0 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.65 -97.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -158.18 122.37 2.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 123.86 10.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -39.99 -43.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' GLN . . . . . 0.547 ' OE1' HD11 ' A' ' 57' ' ' LEU . 6.6 tt0 -166.85 107.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' HG ' ' A' ' 57' ' ' LEU . 16.7 pt20 -93.35 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.547 HD11 ' OE1' ' A' ' 55' ' ' GLN . 3.0 mt -148.47 163.99 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -99.9 120.92 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 79' ' ' LEU . 41.6 mt -67.97 -38.05 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -59.6 104.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.23 -21.16 8.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 p -79.85 -179.76 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.67 159.41 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.5 t -139.29 112.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 42.0 t -107.46 101.59 40.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.157 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.76 123.29 9.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.43 75.06 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 132' ' ' LEU . 96.2 t -101.36 119.32 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' SER . 36.6 t30 -115.48 68.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -39.58 -28.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.0 t -44.94 -46.42 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.37 42.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 40.78 50.31 2.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.977 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -106.26 131.13 53.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -137.31 106.73 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 55.4 m -131.34 149.83 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.6 mt -117.92 125.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -102.73 108.58 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 59' ' ' LEU . 9.9 tp -98.94 114.08 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.76 98.66 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.49 131.15 21.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 150.6 68.18 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -143.24 156.51 61.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -106.66 -40.8 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.45 -93.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 88' ' ' SER . 7.1 tpp -155.07 122.0 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' SER . . . . . 0.439 ' N ' ' SD ' ' A' ' 87' ' ' MET . 3.6 m -97.21 94.86 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 118.52 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.5 mt -107.0 137.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -107.78 125.06 50.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.3 mt -124.46 114.24 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -103.1 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 65.5 m -80.33 162.22 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -77.6 -61.27 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -121.94 179.9 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -69.97 -27.25 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 15.8 mm-40 -58.04 -57.96 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -63.82 -35.04 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -59.21 -56.61 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.33 64.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -51.0 -63.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.0 m95 -60.52 -62.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 tpp -41.27 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.22 -36.22 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -66.4 -54.44 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.6 m -55.77 -39.85 71.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 121' ' ' TYR . 25.0 mt -67.01 -52.9 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 110' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -61.81 -40.79 96.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -39.82 -32.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -105.73 -17.5 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . 122.36 -10.24 9.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -67.83 151.85 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.442 HG22 HG23 ' A' ' 38' ' ' THR . 82.2 p -118.93 145.05 46.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.7 ttp -44.79 -36.62 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.79 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.82 134.93 57.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 122' ' ' THR . 58.0 m -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 120' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 123' ' ' SER . 83.3 p -55.91 -34.42 65.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.7 t80 -36.24 -65.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 122' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 119' ' ' SER . 6.6 t -53.67 -32.77 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 123' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 120' ' ' SER . 2.0 t -56.86 -28.01 61.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.67 -44.45 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.04 -35.47 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -76.51 -57.58 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.91 -36.78 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 128' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LEU . 63.1 mt -72.61 -67.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 129' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' ILE . 36.6 mt -36.24 -47.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.38 -61.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 131' ' ' PHE . . . . . 0.434 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 48.0 t80 -39.74 -45.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 132' ' ' LEU . . . . . 0.546 ' CD2' HG11 ' A' ' 68' ' ' VAL . 93.3 mt -49.8 -47.36 51.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -58.94 -47.46 84.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.4 mt -51.9 -47.71 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 135' ' ' GLN . . . . . 0.434 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 12.6 mm-40 -47.88 -46.6 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' THR . 15.0 mtp-105 -42.05 149.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 137' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 136' ' ' ARG . 85.4 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -48.71 -41.45 31.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -68.57 167.6 14.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.73 119.1 3.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -74.94 152.31 38.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -170.94 164.87 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -71.59 -158.44 3.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.451 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' HG3' ' A' ' 10' ' ' GLU . 43.0 mm -36.58 101.77 0.22 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.543 0.687 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 97.83 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.8 mt-10 -117.56 150.86 38.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -104.03 131.42 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -117.05 109.63 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -174.68 149.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' HIS . . . . . 0.406 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 4.6 t60 -101.9 114.68 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD11 ' CE3' ' A' ' 103' ' ' TRP . 7.5 mt -89.65 -174.75 4.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -81.97 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.86 132.45 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 6.4 t80 -142.08 131.65 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' HA ' ' CZ ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -134.88 83.45 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.2 Cg_endo -69.7 -170.95 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -175.29 123.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt 58.63 44.38 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 mp 62.13 35.89 15.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.2 m -102.54 141.91 34.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -120.44 57.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' HB3' ' NZ ' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -52.65 -25.67 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 26' ' ' LYS . . . 110.91 -172.82 15.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 26.9 m-85 -96.23 164.34 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.09 156.36 45.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -92.56 94.37 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 31' ' ' HIS . . . . . 0.406 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 64.9 m170 -118.3 151.05 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' TYR . 54.3 t-105 -82.78 145.59 29.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.7 t -136.26 144.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.22 120.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.5 t80 -95.18 127.87 41.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 22.4 tptt -110.57 157.45 19.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.1 mt-10 -32.77 -67.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 115' ' ' THR . 2.2 p -121.66 18.64 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -136.48 169.64 17.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' H ' HG22 ' A' ' 39' ' ' THR . 6.8 tt -153.68 138.67 17.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 41' ' ' SER . . . . . 0.467 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 p -148.79 142.44 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -133.37 148.36 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 1.3 m-85 -127.4 166.36 18.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -81.81 -33.0 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' ASP . 8.2 m -144.27 122.81 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -44.65 -22.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' SER . 39.9 m-20 -72.91 -40.04 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -62.97 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -88.07 147.2 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.79 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.361 0.034 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.79 -98.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -148.35 117.83 4.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.731 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.71 144.86 55.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.38 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.69 -44.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -167.18 118.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -99.16 137.11 38.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' LEU . . . . . 0.607 ' N ' HD12 ' A' ' 57' ' ' LEU . 0.3 OUTLIER -141.92 157.57 44.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -103.85 114.34 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 79' ' ' LEU . 70.5 mt -63.49 -9.33 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' C ' ' HD2' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -71.89 100.38 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.32 21.95 9.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' CYS . . . . . 0.464 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.3 p -105.1 -175.07 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.99 149.25 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.6 t -138.49 125.54 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.8 106.59 20.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.53 38.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.52 34.47 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 74' ' ' LYS . 5.1 p -78.02 133.76 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -125.97 77.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.6 t -40.46 -28.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 t -49.79 -52.26 33.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.87 34.6 5.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 42.03 52.71 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 74' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.5 ttpt -126.69 137.53 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 75' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -138.83 123.39 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.6 t -136.92 162.11 34.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.08 106.02 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -79.15 107.14 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 79' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 59' ' ' LEU . 7.1 tp -99.16 129.94 45.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD22 ' SD ' ' A' ' 87' ' ' MET . 18.0 mt -133.67 102.45 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 62' ' ' CYS . 96.4 t -109.21 133.68 20.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.2 Cg_endo -69.81 147.33 62.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -144.03 147.14 36.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -9.63 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -107.05 -28.08 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.32 -123.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 87' ' ' MET . . . . . 0.694 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.4 ttm -142.26 137.14 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -107.12 93.47 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -96.28 116.54 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.61 138.08 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -103.78 124.32 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.63 115.65 23.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -115.51 109.14 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.21 169.62 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -91.77 -39.23 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -143.17 163.95 31.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.31 -39.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.76 -61.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.6 -44.14 97.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -49.31 -61.59 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.35 -55.08 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -46.49 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 47.2 m95 -60.56 -64.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 104' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' TRP . 6.4 tpp -34.94 -67.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.98 -36.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -64.24 -55.43 23.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.5 m -53.52 -44.13 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -60.74 -51.8 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.8 mt -54.07 -43.04 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.48 -31.93 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -50.59 -29.3 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.23 -40.82 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.17 -7.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -74.3 149.87 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' THR . 52.7 p -114.65 149.04 37.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 116' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -46.67 -39.75 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.39 -39.05 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.4 129.04 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.1 p -47.92 -37.47 14.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -43.05 -27.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 121' ' ' TYR . . . . . 0.793 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.4 t80 -51.92 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -54.83 -28.15 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -58.47 -34.36 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.96 -45.2 20.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.23 -46.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -64.45 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.13 -43.01 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.83 -57.88 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.7 mt -39.18 -52.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -58.53 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -39.51 -54.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.6 mt -51.62 -47.48 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -56.87 -47.45 80.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.9 mt -47.22 -41.97 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -46.28 -43.64 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -46.12 151.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.895 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 9' ' ' PRO . 29.5 mt . . . . . 0 C--O 1.231 0.131 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.3 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -129.24 146.56 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.415 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.12 143.28 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -134.43 106.93 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -172.61 139.8 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 17.6 t-80 -93.67 111.94 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.87 -174.9 4.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -82.09 115.88 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.97 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 46.4 t80 -134.12 132.71 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -134.27 88.75 29.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.401 179.979 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 . . . . . 0 C--O 1.23 0.07 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 tpt85 -131.58 129.85 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.44 123.14 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 44' ' ' LYS . 2.4 m-70 -140.36 170.02 16.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -109.92 121.62 45.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.5 t -117.72 150.3 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -146.85 124.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 22.8 t80 -97.31 125.91 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.4 tptm -111.55 157.65 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' LYS . 31.0 mt-10 -32.23 -68.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 HG22 ' A' ' 115' ' ' THR . 1.7 p -122.62 18.82 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -133.16 166.23 22.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -158.75 129.64 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -148.39 148.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.8 p90 -132.63 174.31 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.945 ' CE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -144.27 163.93 32.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.618 ' HB3' HD11 ' A' ' 54' ' ' ILE . 22.0 ptmt -78.97 -34.54 44.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 47' ' ' ASP . 35.6 t -153.38 132.55 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' SER . 3.5 tt0 -34.27 -34.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 45' ' ' SER . 30.3 m-20 -49.95 -59.89 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.9 mm-40 -37.88 -63.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.945 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -71.31 162.19 74.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.699 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -1.82 6.87 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.289 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.9 -87.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.42 134.67 6.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.72 166.34 27.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 44' ' ' LYS . 29.2 mt -64.46 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -165.3 111.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -89.69 139.1 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -140.28 147.21 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -88.95 101.31 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 40' ' ' LEU . 40.5 mt -45.08 -45.07 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 8.0 tmtm? -51.04 92.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 131.08 -34.17 2.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.722 ' HB2' HG22 ' A' ' 81' ' ' VAL . 14.1 p -59.67 174.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CD ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -110.77 146.63 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 79' ' ' LEU . 46.8 t -132.78 110.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' CD ' ' A' ' 63' ' ' GLU . 55.1 t -108.69 120.68 45.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -129.87 46.96 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 1.9 m -94.57 144.59 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -134.17 90.69 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' SER . 90.9 t -46.35 -32.25 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' VAL . 3.4 m -38.29 -38.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.08 44.73 1.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 38.25 45.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -109.4 146.33 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.46 105.05 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.68 155.09 26.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.523 HG23 ' HE1' ' A' ' 104' ' ' MET . 21.4 mt -133.42 110.96 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.678 ' HE3' HD13 ' A' ' 80' ' ' LEU . 13.3 tttt -88.34 107.15 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 64' ' ' VAL . 11.4 tp -97.52 110.9 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.678 HD13 ' HE3' ' A' ' 78' ' ' LYS . 3.2 tp -102.33 116.26 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 62' ' ' CYS . 27.1 t -126.02 133.56 25.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.84 43.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m -131.31 147.69 67.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.72 12.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -115.57 -30.33 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.06 -92.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.456 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 28.7 mmm -155.44 171.53 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -134.76 73.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -94.24 111.22 22.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.0 133.26 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -100.41 117.01 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.24 115.87 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -109.64 129.23 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -97.24 148.76 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.18 -41.75 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -134.11 -176.33 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -75.73 -28.47 58.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 35.5 mm-40 -55.86 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.04 -33.73 67.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 38.0 t80 -64.75 -64.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.24 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -60.33 -66.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 45.9 m95 -57.22 -65.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.523 ' HE1' HG23 ' A' ' 77' ' ' ILE . 8.5 tpp -38.31 -63.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.83 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.19 93.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -61.22 -48.83 79.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -57.36 -46.63 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.0 mt -57.52 -37.56 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.39 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -59.22 -40.58 86.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -84.69 8.77 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 92.33 -31.69 5.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.86 174.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.694 HG22 HG23 ' A' ' 38' ' ' THR . 19.8 p -141.64 157.39 45.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.1 ttp -53.58 -32.81 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.1 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.27 155.96 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -38.31 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 m -41.75 -33.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.82 ' HA ' HD11 ' A' ' 109' ' ' LEU . 22.7 t80 -38.91 -63.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -59.43 -31.91 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 t -58.57 -24.49 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -87.01 -47.06 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.39 -40.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.79 -65.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.53 -40.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.1 mt -67.2 -66.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.7 mt -34.9 -45.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -56.97 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.456 ' HA ' HD12 ' A' ' 134' ' ' LEU . 58.4 t80 -39.43 -50.91 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.84 -50.01 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -54.43 -41.88 69.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 131' ' ' PHE . 29.0 mt . . . . . 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 9' ' ' PRO . 75.1 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.635 0.731 . . . . 0.0 111.157 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.76 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -120.33 137.7 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -105.25 140.3 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.7 mmmm -129.56 106.35 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.71 139.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.5 t-80 -96.16 111.9 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 103' ' ' TRP . 6.1 mt -87.84 -174.76 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 23.4 ttt180 -82.07 115.73 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 97.1 mt -120.37 142.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 1.9 t80 -159.69 134.7 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -127.92 112.73 20.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.985 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 91.7 m-85 . . . . . 0 C--O 1.231 0.087 0 CA-C-O 120.895 0.378 . . . . 0.0 110.906 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 45.2 ttt180 -144.83 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 39.1 tt0 -75.11 97.55 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.9 m170 -122.01 168.93 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -115.27 122.54 46.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -114.36 144.32 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -137.28 121.87 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HD12 ' A' ' 11' ' ' LEU . 19.1 t80 -95.44 129.38 42.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 37' ' ' GLU . 35.7 tptt -115.71 157.3 24.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt-10 -33.13 -71.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.37 19.37 13.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -137.16 171.48 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.554 ' H ' HG22 ' A' ' 39' ' ' THR . 3.6 tt -161.0 134.2 6.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -139.05 165.03 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -158.56 156.63 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -136.45 168.45 19.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.478 ' N ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -83.54 -22.46 32.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 7.6 m -143.02 130.58 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -55.17 -46.1 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -55.22 -44.82 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 55.5 mm-40 -51.18 -50.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -66.66 155.19 89.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.77 -49.44 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.383 0.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.11 -98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -139.01 121.94 10.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 131.21 20.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' N ' ' A' ' 44' ' ' LYS . 73.0 mt -43.39 -51.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -159.11 118.87 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -86.58 134.33 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.86 124.43 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LYS . 55.1 t30 -83.0 94.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 40' ' ' LEU . 17.9 mt -36.4 -33.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' ASN . 18.7 tttm -62.17 117.37 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 -23.54 35.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 m -67.48 -176.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -118.48 135.76 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.83 132.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 66' ' ' PRO . 71.9 t -137.55 135.9 19.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' HG13 ' A' ' 65' ' ' VAL . 54.2 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.35 34.4 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 27.4 m -87.63 145.48 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -133.06 98.44 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.65 -41.93 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -29.15 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.05 25.66 8.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 42.09 37.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 20.4 ttmm -113.59 149.73 34.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 13.8 m-85 -147.81 114.07 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.3 t -134.53 151.55 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.413 HG22 ' CD1' ' A' ' 79' ' ' LEU . 42.1 mt -121.11 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.423 ' CG ' HD23 ' A' ' 80' ' ' LEU . 40.0 tttt -69.59 117.76 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -115.36 112.26 22.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 78' ' ' LYS . 4.0 mm? -119.1 111.2 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 22.0 t -109.54 109.91 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.73 133.15 24.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m -146.95 153.67 46.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.74 37.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.57 -24.46 42.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.9 -100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.41 124.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 m -99.91 106.31 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.78 122.64 39.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.37 122.53 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -111.0 120.58 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.4 mt -113.8 114.34 26.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -111.86 123.84 51.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.2 m -95.3 170.33 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -81.11 -59.11 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -117.88 178.61 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 14.3 pt-20 -73.8 -33.11 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -49.21 -49.92 40.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.64 -45.73 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -49.99 -46.03 52.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.85 80.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -51.63 -66.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.5 m95 -57.82 -46.51 84.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.7 tpp -46.08 -70.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.41 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.99 -47.08 89.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.5 m -62.55 -46.82 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -61.48 -53.08 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.1 mt -47.88 -36.18 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.81 -40.93 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.2 t -43.47 -41.86 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -92.72 -24.58 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.56 -31.9 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' LEU . 38.1 mtt85 -48.59 155.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -120.54 155.9 32.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.532 ' HG2' ' CG ' ' A' ' 121' ' ' TYR . 7.3 ttm -55.68 -38.84 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.402 ' CA ' ' HG3' ' A' ' 9' ' ' PRO . . . -41.96 -44.27 3.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.18 139.04 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m -58.66 -28.41 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 m -57.12 -21.41 32.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.656 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -50.15 -47.11 54.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -71.49 -37.39 71.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 m -50.84 -38.48 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -35.39 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 128' ' ' ILE . 83.3 t -62.67 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -64.56 -60.68 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.44 -41.48 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 125' ' ' VAL . 48.2 mt -57.81 -67.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.65 -37.66 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.4 -54.14 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 39.4 t80 -54.58 -46.82 73.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.31 -42.82 64.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -61.74 -37.95 86.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 73.8 mt . . . . . 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.994 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 9' ' ' PRO . 23.2 mt . . . . . 0 C--O 1.231 0.114 0 CA-C-O 121.657 0.741 . . . . 0.0 111.147 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -132.15 141.04 48.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -101.03 140.28 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -128.77 105.32 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.7 m-20 -175.7 154.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.2 t-80 -108.38 112.73 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.0 mt -88.0 -174.71 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 117.51 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 48.3 mt -119.79 134.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 36.0 t80 -141.45 135.66 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -131.31 87.54 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 94.7 m-85 . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -143.53 173.11 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -77.72 90.37 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 13.6 m170 -114.33 170.43 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -117.5 140.24 49.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.65 151.45 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.0 t -148.18 124.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 37.5 t80 -95.42 136.45 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.8 tptm -118.79 157.53 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 26.6 mt-10 -32.13 -71.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -119.28 22.67 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -139.1 166.02 25.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' HG22 ' A' ' 39' ' ' THR . 5.4 tt -153.76 128.22 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -139.8 147.1 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 6.0 p90 -135.33 175.38 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.64 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -147.5 147.21 29.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.779 ' N ' HD11 ' A' ' 54' ' ' ILE . 34.3 ttmt -54.96 -26.85 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.6 m -168.71 135.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' SER . 6.7 tm0? -34.09 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' SER . 9.1 m-20 -51.23 -53.34 36.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' ASP . 7.5 mm-40 -36.3 -60.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -74.84 167.04 40.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.848 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.74 -2.12 6.96 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.366 -0.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.19 -88.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -159.42 140.06 9.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.4 Cg_endo -69.78 148.39 64.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' N ' ' A' ' 44' ' ' LYS . 69.0 mt -51.66 -43.4 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -160.75 133.74 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -111.06 127.91 55.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 57' ' ' LEU . 2.1 mp -133.1 168.97 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -110.25 102.56 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -40.9 -32.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -53.05 115.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.67 -1.69 60.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.408 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.4 p -78.28 175.53 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -109.86 126.31 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.42 111.46 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 41.2 t -122.29 100.24 42.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.9 Cg_endo -69.77 124.19 10.84 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.15 37.89 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 75' ' ' PHE . 3.5 p -87.92 127.6 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -121.39 77.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -40.58 -32.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 p -42.53 -45.3 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.71 14.04 29.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 59.37 48.2 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -123.96 107.97 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 3.1 m-85 -104.73 115.34 30.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 t -127.92 162.32 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.5 105.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CE ' HD13 ' A' ' 80' ' ' LEU . 50.5 tttt -76.11 118.67 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp -103.18 108.75 20.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.546 ' HG ' ' HE2' ' A' ' 87' ' ' MET . 5.8 tp -115.74 115.47 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' CB ' ' A' ' 62' ' ' CYS . 93.3 t -124.73 118.11 26.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HA ' ' CB ' ' A' ' 87' ' ' MET . 53.8 Cg_endo -69.79 138.91 38.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.437 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 3.8 m -130.47 148.07 68.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.25 13.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -127.91 -31.95 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 175.44 95.01 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.546 ' HE2' ' HG ' ' A' ' 80' ' ' LEU . 22.5 ptm -41.94 164.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -124.44 139.92 53.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 80' ' ' LEU . 38.4 tt0 -129.15 111.33 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.62 149.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -115.9 127.23 54.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.76 125.22 50.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -119.1 105.88 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -78.74 161.39 26.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -89.82 -40.37 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.83 164.43 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 15.8 pt-20 -60.85 -32.64 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.66 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -58.23 -40.06 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -51.64 -59.26 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 125' ' ' VAL . . . -54.79 -59.32 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -38.93 -63.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.3 m95 -63.75 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 9.1 tpp -38.17 -66.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.67 -40.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -63.82 -48.26 78.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.6 m -59.5 -41.28 89.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.401 HD12 ' HA2' ' A' ' 106' ' ' GLY . 16.0 mt -68.7 -48.9 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.66 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -47.22 -48.3 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -89.25 -18.33 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . 127.35 -29.57 4.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -53.49 162.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.698 HG22 HG23 ' A' ' 38' ' ' THR . 17.5 p -139.21 158.67 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.8 mtm -47.46 -32.66 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.42 -34.05 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -71.88 127.2 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 122' ' ' THR . 43.9 t -48.53 -29.54 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.9 p -51.17 -32.27 22.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -39.51 -69.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 119' ' ' SER . 6.0 t -48.67 -33.53 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -56.01 -32.29 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.35 -52.85 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.504 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 57.7 t -46.77 -38.14 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -74.6 -64.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.3 -40.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' LEU . 56.2 mt -64.75 -64.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.4 mt -36.07 -45.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.41 -57.63 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -39.93 -53.57 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.456 HD13 ' HE2' ' A' ' 75' ' ' PHE . 91.8 mt -51.96 -44.56 64.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -56.1 -42.73 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt . . . . . 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.996 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt . . . . . 0 C--O 1.231 0.101 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -136.71 137.3 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -93.5 132.12 38.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 30.0 mmtm -120.6 107.16 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 15.9 m-20 -171.94 138.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t-80 -100.22 114.4 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.99 -174.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -81.97 115.67 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.71 131.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 44.0 t80 -148.53 132.92 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -131.64 95.04 24.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.956 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 . . . . . 0 C--O 1.231 0.108 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -125.18 167.98 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -86.2 87.44 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 25.8 m170 -107.84 169.63 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 64.6 t-105 -115.86 121.53 42.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 t -112.68 142.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -135.6 121.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.5 t80 -95.19 128.12 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -112.89 157.43 21.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 36' ' ' LYS . 4.8 mm-40 -32.49 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.806 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.75 23.17 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 40' ' ' LEU . 4.2 m -140.03 169.53 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 41' ' ' SER . 6.0 tt -156.46 139.74 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.63 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.4 p -145.55 160.49 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.9 153.49 38.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 m-85 -134.96 168.66 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HG3' HD11 ' A' ' 54' ' ' ILE . 50.2 mtpt -85.78 -37.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 t -139.29 122.56 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG3' ' CG ' ' A' ' 32' ' ' TRP . 5.8 mp0 -42.46 -26.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.02 -42.35 85.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.5 pt-20 -63.1 -18.69 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -96.16 149.18 35.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.76 -48.49 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.323 0.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.01 -98.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -146.13 122.67 5.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.5 Cg_endo -69.77 145.82 58.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.755 HD11 ' HG3' ' A' ' 44' ' ' LYS . 65.0 mt -47.9 -45.05 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.493 ' NE2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -173.87 105.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.647 ' O ' HD23 ' A' ' 57' ' ' LEU . 15.4 pt20 -67.0 145.59 55.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 56' ' ' GLN . 30.2 mt -128.44 157.88 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -116.64 93.84 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 110' ' ' ALA . 11.9 mt -37.46 -42.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -56.51 105.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 -19.89 12.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.717 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.1 m -76.89 -176.07 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.21 157.96 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -128.11 124.39 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.95 94.92 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.68 13.56 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.02 15.19 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 65.2 t -48.16 124.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 35.3 m-20 -126.18 72.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' ASN . 90.0 t -36.06 -38.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -38.89 -52.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.75 43.29 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLY . 58.8 mm-40 36.9 54.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -114.18 132.6 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -135.54 112.75 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -132.3 156.03 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt -127.39 99.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.833 ' HE3' HD21 ' A' ' 80' ' ' LEU . 30.2 tttp -71.89 122.5 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.34 109.77 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.833 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.3 mm? -112.04 109.24 18.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.717 HG22 ' SG ' ' A' ' 62' ' ' CYS . 44.7 t -116.5 121.26 33.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 140.21 41.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -150.36 153.37 34.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.59 -44.96 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.79 -79.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 81' ' ' VAL . 8.9 tpt -172.44 129.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -107.21 94.99 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.02 116.06 31.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.6 138.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -108.37 125.15 51.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.6 mt -123.94 114.19 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -109.26 127.17 54.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.09 167.9 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -85.89 -51.62 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -127.86 157.84 39.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.15 -28.95 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.94 -49.31 73.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -73.1 -41.51 63.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 3.5 t80 -53.42 -49.56 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.78 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -50.55 -63.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.5 m95 -60.91 -62.15 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' TRP . 20.3 tpp -36.29 -68.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.76 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -52.69 45.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.83 -43.61 94.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.22 -36.62 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.887 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.6 mt -67.31 -41.37 85.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -75.14 -24.64 58.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -56.85 -39.77 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -103.59 -2.26 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 118.69 -45.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -40.43 153.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.806 HG22 HG23 ' A' ' 38' ' ' THR . 24.8 p -130.43 166.95 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttm -56.45 -34.02 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.88 46.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.61 150.6 48.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -69.28 -23.67 63.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -60.39 -21.97 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.887 ' HA ' HD11 ' A' ' 109' ' ' LEU . 14.6 t80 -50.69 -57.33 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -51.31 -35.35 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.34 -48.4 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.479 ' O ' HD13 ' A' ' 129' ' ' LEU . 93.5 t -49.66 -39.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.72 -56.08 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.39 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.7 -66.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 125' ' ' VAL . 6.7 mp -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.38 -65.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' ALA . 57.4 t80 -37.48 -47.97 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 68' ' ' VAL . 31.9 mt -55.35 -48.56 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.69 -39.13 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 9' ' ' PRO . 67.4 mt . . . . . 0 C--O 1.231 0.083 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.76 109.87 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.85 144.83 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 141.68 35.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 34' ' ' VAL . 30.3 mmtm -129.7 109.24 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -174.0 142.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.9 t-80 -95.02 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 103' ' ' TRP . 37.1 mt -87.92 -174.88 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.59 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 8.1 ttt85 -82.06 115.64 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -122.1 129.05 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 10.4 t80 -142.45 131.89 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 5.9 mmm180 -125.6 102.43 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 47.5 m-85 . . . . . 0 C--O 1.232 0.146 0 CA-C-O 120.83 0.348 . . . . 0.0 110.946 . . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -125.83 159.35 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -80.27 108.33 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 14.3 m-70 -132.61 169.9 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -109.13 125.6 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.55 149.27 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 12' ' ' LYS . 54.6 t -146.57 123.99 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 38.0 t80 -95.23 131.96 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 37' ' ' GLU . 26.7 tptp -114.94 157.55 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' LYS . 6.4 mm-40 -31.57 -70.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -120.96 22.37 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -138.39 165.9 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.419 ' H ' HG22 ' A' ' 39' ' ' THR . 5.0 tt -152.74 126.38 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 53.8 m -136.77 170.52 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -160.97 157.79 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -131.56 164.72 25.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 11.0 pttm -76.55 -28.36 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -48.56 -44.56 36.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -55.21 8.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 11.0 mt-10 -38.6 -60.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.21 155.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.84 -51.04 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.338 0.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.32 -107.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -139.93 131.93 14.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.455 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.73 137.07 34.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -49.03 -50.57 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -155.42 108.14 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -86.71 120.47 28.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -86.05 177.32 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 60' ' ' LYS . 22.7 t30 -132.0 74.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.1 mt -42.27 -24.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -68.06 90.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.62 -30.27 6.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.4 p -51.97 -175.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.97 158.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.8 t -134.42 124.38 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.4 t -130.0 94.71 30.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.7 Cg_endo -69.79 131.76 21.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.66 37.15 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG11 ' CE1' ' A' ' 100' ' ' TYR . 2.9 m -78.06 140.07 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -128.55 94.78 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 132' ' ' LEU . 91.0 t -47.65 -38.55 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -40.9 -59.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.88 37.2 3.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 39.36 39.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 93' ' ' ARG . 24.8 ttmt -97.46 148.68 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -154.92 107.89 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.38 130.56 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.4 mt -106.94 121.96 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HD3' HD23 ' A' ' 80' ' ' LEU . 10.0 tttm -87.98 124.64 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.464 ' O ' HD22 ' A' ' 80' ' ' LEU . 9.6 mp -113.81 114.36 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.556 HD12 ' CE ' ' A' ' 87' ' ' MET . 4.4 mm? -123.85 114.43 19.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.1 t -120.33 125.85 27.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.88 26.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -139.49 150.19 62.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.74 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.55 10.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.57 -41.43 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.03 -114.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.556 ' CE ' HD12 ' A' ' 80' ' ' LEU . 4.4 tpt -144.07 120.98 11.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -92.54 84.73 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -94.9 111.64 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.0 mt -119.68 137.74 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -110.0 129.88 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.2 mt -125.48 114.11 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 11.1 tpt180 -110.63 125.23 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.4 m -95.63 168.65 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -87.56 -57.97 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -122.16 165.35 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.534 ' OE1' HD13 ' A' ' 132' ' ' LEU . 19.4 pt-20 -62.6 -31.1 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -50.98 -46.77 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -75.94 -45.46 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.507 ' CE1' HG11 ' A' ' 68' ' ' VAL . 15.6 t80 -50.1 -60.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.55 -49.93 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -54.16 -64.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CD2' HD11 ' A' ' 15' ' ' LEU . 49.8 m95 -59.62 -63.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 6.6 tpp -34.84 -67.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.91 -40.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -62.93 -44.08 97.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.0 m -65.45 -48.06 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -54.75 -40.64 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.76 HD23 ' CD ' ' A' ' 114' ' ' ARG . 10.8 mt -64.1 -56.28 16.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -27.96 69.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -59.79 -29.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -103.57 -5.88 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.33 -35.72 4.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.76 ' CD ' HD23 ' A' ' 109' ' ' LEU . 7.5 ptp180 -60.93 146.2 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.667 HG22 HG23 ' A' ' 38' ' ' THR . 58.3 p -93.72 178.38 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.663 ' HA ' HD13 ' A' ' 109' ' ' LEU . 20.1 ttp -84.61 -26.4 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.8 -23.38 17.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.2 154.65 41.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 10.3 m -64.47 -39.52 93.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.3 m -44.75 -32.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.455 ' HA ' HD11 ' A' ' 109' ' ' LEU . 39.6 t80 -43.4 -67.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 119' ' ' SER . 4.6 t -49.55 -32.98 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 -32.18 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.95 -47.03 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.22 -38.84 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -74.28 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.89 -41.37 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.2 mt -64.03 -66.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.9 mt -36.04 -48.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.39 -61.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 134' ' ' LEU . 60.9 t80 -34.77 -50.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 97' ' ' GLU . 79.5 mt -50.61 -53.96 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -57.77 -46.97 83.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 131' ' ' PHE . 51.7 mt . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 9' ' ' PRO . 79.6 mt . . . . . 0 C--O 1.231 0.105 0 CA-C-O 121.648 0.737 . . . . 0.0 111.125 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 8' ' ' ILE . 54.4 Cg_endo -69.71 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -118.18 154.03 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.8 mt -110.23 138.23 46.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 37.5 mmtm -128.82 108.9 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 28.7 m-20 -174.38 141.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.6 t-80 -99.51 113.45 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.84 -174.96 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 24.0 mtt85 -82.09 116.05 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -118.44 120.49 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -143.62 139.69 29.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -129.36 133.43 25.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.988 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 24.5 m-85 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 . . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -79.02 173.97 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -87.27 100.74 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.6 m-70 -125.29 170.09 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -112.85 125.6 54.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 t -119.2 146.35 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.3 t -139.62 119.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.3 t80 -95.25 134.54 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -118.32 157.68 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.6 mt-10 -31.11 -71.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.77 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -120.47 23.05 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 40' ' ' LEU . 3.8 m -139.44 167.3 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 39' ' ' THR . 4.6 tt -149.54 137.44 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -140.56 131.66 26.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.589 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -130.31 142.22 50.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -118.36 174.64 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.519 ' N ' HD11 ' A' ' 54' ' ' ILE . 47.9 mttp -78.82 -45.03 21.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.7 m -144.98 132.38 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ASP . 29.5 tt0 -40.98 -56.85 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -35.58 -54.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -39.76 -56.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -43.77 147.28 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.7 -44.57 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.359 -0.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 36.09 -102.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -160.73 136.69 6.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.649 0.737 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 44' ' ' LYS . 55.4 mt -42.94 -52.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.589 ' OE1' ' CE1' ' A' ' 42' ' ' TYR . 2.2 pt20 -144.46 137.54 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -117.87 105.3 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 81' ' ' VAL . 2.5 mt -116.52 163.36 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 49.5 t30 -107.13 96.71 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ASN . 27.9 mt -34.69 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 19.0 ttpt -60.57 102.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.81 -39.0 2.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -57.83 178.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -107.28 164.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.22 123.03 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 50.2 t -128.58 95.9 31.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.74 106.0 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.57 35.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 98.5 t -66.63 129.09 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -131.27 87.32 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' SER . 76.4 t -51.1 -37.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' VAL . 10.8 t -35.12 -43.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -126.98 44.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' GLY . 79.1 mm-40 36.71 51.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -107.71 146.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -153.26 105.35 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.06 145.52 51.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -114.94 94.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 14.4 tttp -70.8 101.94 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.433 ' C ' HD22 ' A' ' 80' ' ' LEU . 12.3 tp -96.08 128.33 42.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 89' ' ' GLU . 4.2 mm? -121.18 113.78 20.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 57' ' ' LEU . 15.4 t -127.44 116.38 21.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 150.68 68.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -143.48 155.45 60.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -99.8 -38.73 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.62 -106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.6 tpt -150.79 139.07 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 t -112.05 101.37 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE1' HD11 ' A' ' 80' ' ' LEU . 2.9 tp10 -113.77 116.44 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.3 132.37 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -104.84 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.8 129.67 45.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -126.24 106.23 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.15 152.14 38.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 9.1 pt20 -62.62 -39.45 93.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 24.3 p30 -142.88 -178.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.93 -27.47 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -53.05 -60.8 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.01 -39.29 94.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 6.8 t80 -50.49 -51.92 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.96 -62.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -40.21 -61.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 40.5 m95 -61.42 -62.85 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.2 tpp -40.15 -68.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.54 -42.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.477 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -61.68 -50.91 61.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.83 -48.45 78.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -56.3 -52.64 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 121' ' ' TYR . 8.8 mt -51.66 -43.12 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.25 70.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.0 t -38.29 -40.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -99.38 -34.3 10.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.9 -37.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' LEU . 85.5 mtt180 -45.33 162.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.77 HG22 HG23 ' A' ' 38' ' ' THR . 76.7 p -145.02 160.78 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.54 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 27.5 mtm -49.01 -37.46 20.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.07 -39.39 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.32 155.01 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 122' ' ' THR . 80.7 p -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -46.08 -24.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 11.8 t80 -54.71 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 119' ' ' SER . 14.8 t -61.47 -31.36 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -57.8 -34.07 69.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -47.62 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.17 -43.07 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -65.09 -57.81 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.04 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.66 -59.29 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 mt -42.49 -53.02 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.24 -60.69 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ALA . 56.3 t80 -35.04 -48.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.98 -53.4 58.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -48.77 -39.55 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 59.3 mt . . . . . 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.998 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 10' ' ' GLU . 27.7 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.613 0.72 . . . . 0.0 111.127 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.82 109.85 2.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 8' ' ' ILE . 43.6 mt-10 -126.8 143.74 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.6 136.21 41.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.7 mmtm -122.19 107.84 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.7 m-20 -172.48 141.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.4 t-80 -99.79 113.21 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.85 -174.86 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -82.06 115.69 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.8 mt -117.8 119.91 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -133.88 132.05 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.01 108.99 18.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.981 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 74.3 m-85 . . . . . 0 C--O 1.23 0.075 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -124.72 165.38 18.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -83.39 113.49 20.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 95.8 m-70 -135.43 168.56 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.33 122.17 45.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.2 t -118.04 142.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.66 122.93 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 25.6 t80 -95.18 117.43 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.5 tptm -100.94 157.44 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 28.0 mt-10 -32.99 -70.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.69 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -119.72 20.84 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -138.15 169.04 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.463 ' H ' HG22 ' A' ' 39' ' ' THR . 2.2 tt -160.89 131.93 5.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -148.77 157.28 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.5 p90 -138.52 164.45 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -140.51 171.03 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -64.28 -50.71 66.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -147.03 162.18 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -49.76 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -55.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.65 -60.61 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.41 151.54 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -44.23 0.53 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.299 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.23 -110.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -142.58 134.68 13.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.14 53.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.79 -40.3 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -165.6 113.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.63 142.57 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG11 ' A' ' 81' ' ' VAL . 3.8 mt -143.79 131.57 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LYS . 29.4 t30 -78.77 104.48 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 110' ' ' ALA . 29.1 mt -41.09 -27.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 7.3 mmtp -53.13 124.07 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.61 -31.13 4.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 p -47.48 171.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -113.02 145.81 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -129.96 105.72 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 13.8 t -114.02 96.06 40.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.653 0.74 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.226 . . . . 0.0 112.351 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.66 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.498 HG11 HD21 ' A' ' 132' ' ' LEU . 64.4 t -46.96 115.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' SER . 33.5 t30 -124.58 64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.405 ' CG2' HD22 ' A' ' 132' ' ' LEU . 53.0 t -37.43 -30.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 9.3 t -44.46 -54.38 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -114.84 47.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLY . 98.8 mm-40 35.04 46.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.521 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 56.8 tttt -107.75 151.85 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 16.6 m-85 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.08 157.18 45.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -130.61 101.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 65' ' ' VAL . 15.0 ttpt -70.69 118.68 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp -108.71 124.13 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.64 123.31 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.906 HG11 ' HB3' ' A' ' 57' ' ' LEU . 25.3 t -130.38 102.69 16.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.678 0.751 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.52 30.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m -143.45 160.47 51.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.82 37.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -81.53 -44.18 17.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.57 -117.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.1 tpt -151.06 127.03 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -110.22 95.89 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.57 113.32 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.04 145.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -112.77 122.19 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.1 mt -117.78 116.4 26.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -111.26 105.47 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.7 160.16 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -83.08 -49.06 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.19 163.13 27.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.66 -29.18 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -53.73 -59.05 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -63.62 -40.8 97.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -54.31 -62.11 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.37 -52.69 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -50.72 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 38.5 m95 -55.68 -64.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 103' ' ' TRP . 26.8 tpp -35.41 -69.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -61.43 -51.82 55.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.01 -50.4 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . 0.413 ' CD ' ' SD ' ' A' ' 104' ' ' MET . 42.8 mtp85 -53.78 -39.91 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.1 mt -67.96 -46.54 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -66.59 -38.05 86.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -102.39 10.52 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.61 -32.49 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -51.4 149.24 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.69 HG22 HG23 ' A' ' 38' ' ' THR . 70.6 p -120.56 -178.95 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.6 mtm -76.44 -26.06 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.07 -29.62 44.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.08 159.79 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 m -81.21 -10.53 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 t -73.53 -19.97 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.642 ' HA ' HD11 ' A' ' 109' ' ' LEU . 21.6 t80 -53.3 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.9 t -50.29 -30.79 12.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -30.0 61.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -41.88 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.43 -39.52 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -69.08 -52.55 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.34 -38.47 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.38 -52.97 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.9 mt -52.58 -42.0 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -73.21 -60.13 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 130' ' ' ALA . 80.1 t80 -36.9 -54.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.498 HD21 HG11 ' A' ' 68' ' ' VAL . 59.3 mt -52.43 -46.35 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -56.79 -40.48 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt . . . . . 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 180.0 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 10' ' ' GLU . 16.8 mm . . . . . 0 C--O 1.231 0.104 0 CA-C-O 121.59 0.71 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.76 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.2 mt-10 -117.99 147.02 43.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.449 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.2 mt -102.68 133.5 47.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.4 mmmm -118.48 109.04 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.9 m-20 -175.11 142.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.6 t-80 -101.71 112.2 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.96 -175.31 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.97 115.75 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.86 123.94 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 6.4 t80 -141.47 134.64 29.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.61 105.0 4.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.951 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 55.7 m-85 . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 . . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.4 ttm-85 -118.1 156.2 29.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 2.6 tt0 -65.27 113.79 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 84.9 m-70 -138.83 169.81 17.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -112.57 127.4 56.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.92 143.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -141.1 123.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.21 122.45 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.9 tptm -105.79 157.49 17.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.0 mt-10 -32.76 -67.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.673 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -122.7 18.93 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -135.01 168.41 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 41' ' ' SER . 4.1 tt -161.14 131.56 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' HD23 ' A' ' 40' ' ' LEU . 49.8 m -149.6 157.36 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -139.65 166.18 25.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -137.45 169.25 18.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -68.08 -56.34 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -128.64 142.89 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -47.03 -44.92 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 t0 -51.45 -59.52 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ASP . 28.5 mt-10 -34.81 -57.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.66 151.21 8.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.77 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.347 0.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.33 -103.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -146.54 125.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.7 129.37 17.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' PRO . 58.6 mt -36.57 -40.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.0 136.22 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -111.99 142.79 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -139.1 134.83 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 29.0 t30 -84.74 95.53 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASN . 21.6 mt -38.04 -45.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -52.13 111.76 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.34 -29.5 8.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.63 ' SG ' HG22 ' A' ' 81' ' ' VAL . 2.7 m -67.82 -176.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -119.75 159.52 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -132.6 130.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 60.5 t -132.21 99.84 15.93 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.1 Cg_endo -69.71 129.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.69 33.33 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.51 125.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 5.6 m-20 -117.45 79.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 132' ' ' LEU . 71.9 t -40.62 -25.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.5 t -53.27 -45.66 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.01 23.35 27.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 49.79 47.33 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -125.8 118.58 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -118.46 121.64 40.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -128.5 103.53 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -84.2 103.69 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.61 139.49 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 87' ' ' MET . 32.5 mt -128.77 101.77 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 82' ' ' PRO . 92.3 t -107.24 138.53 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.73 150.2 68.06 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -143.9 159.9 51.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.33 32.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -124.75 11.96 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.9 -98.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.611 ' CE ' HD22 ' A' ' 80' ' ' LEU . 3.8 ptm -173.14 158.75 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -107.72 108.11 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.83 111.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.8 mt -114.94 128.47 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.0 113.21 26.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -111.3 120.35 41.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.37 123.91 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.12 177.87 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -96.59 -42.55 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.94 175.73 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -52.23 -55.0 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.9 -43.18 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -49.94 -59.44 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.61 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -42.36 -67.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.9 m95 -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.6 tpp -36.73 -63.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.19 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.463 ' HA3' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.05 -47.0 91.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -47.37 77.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -59.29 -44.39 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.839 HD11 ' HA ' ' A' ' 121' ' ' TYR . 16.2 mt -63.89 -45.12 90.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.07 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -37.99 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.06 -17.07 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.89 -37.81 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -50.06 158.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.673 HG22 HG23 ' A' ' 38' ' ' THR . 44.1 p -133.44 161.48 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.51 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 63.2 mtm -52.73 -39.56 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.22 -26.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.58 148.97 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -64.71 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.4 t -44.8 -24.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.839 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.0 t80 -50.4 -65.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -50.53 -30.39 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -55.72 -30.01 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -48.78 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.11 -43.65 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -68.2 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.42 -45.36 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.09 -59.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.7 mt -41.18 -46.68 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.65 -61.14 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -38.51 -50.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.559 ' HB3' HG21 ' A' ' 70' ' ' VAL . 46.5 mt -47.82 -47.68 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.6 t -53.31 -46.0 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.7 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.979 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' HG3' ' A' ' 10' ' ' GLU . 17.2 mm . . . . . 0 C--O 1.231 0.112 0 CA-C-O 121.67 0.747 . . . . 0.0 111.128 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 8' ' ' ILE . 18.0 mt-10 -134.31 147.52 50.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 136.3 43.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.2 mmmt -121.01 108.95 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -173.74 142.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.8 t-80 -99.11 113.51 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.9 mt -88.94 -174.76 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -81.99 115.7 21.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mt -115.8 124.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.508 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 19.7 t80 -128.29 132.14 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -127.35 94.14 39.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.5 Cg_endo . . . . . 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.383 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 97.0 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 . . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -135.17 163.38 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -85.63 98.35 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 11.0 m-70 -122.74 170.23 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -109.09 140.4 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.16 140.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.66 125.94 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 13.8 t80 -98.8 120.52 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.8 tptm -107.59 157.68 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 40.7 mt-10 -32.18 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.816 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -116.38 24.47 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.93 162.41 35.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 41' ' ' SER . 5.1 tt -154.38 138.23 16.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 40' ' ' LEU . 5.2 t -149.67 158.74 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -141.14 143.89 34.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 2.4 m-85 -123.88 172.6 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -89.93 -37.47 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -142.78 129.98 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -48.34 -23.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.21 -35.46 76.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.435 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 pt-20 -71.51 -16.83 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -98.29 151.68 37.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.78 -49.46 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.309 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.93 -107.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -139.35 123.01 10.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.74 151.56 69.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.43 -44.66 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -163.76 105.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -80.23 143.79 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 146.81 37.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -104.3 106.87 17.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 mt -48.14 -24.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -66.55 104.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.94 24.52 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.536 ' HB2' HG22 ' A' ' 81' ' ' VAL . 16.8 p -112.23 179.31 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.07 153.17 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.2 t -142.15 120.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 6.7 t -123.96 98.79 38.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.81 110.6 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.87 35.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.64 123.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -127.1 88.12 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.81 -40.36 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -42.44 -36.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -124.14 37.81 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.0 mm-40 35.06 38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -94.43 141.51 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -144.61 109.17 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.81 154.06 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.69 90.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.77 106.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 79' ' ' LEU . 10.1 tp -99.14 120.38 39.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.681 HD22 ' SD ' ' A' ' 87' ' ' MET . 9.2 mt -128.75 98.07 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 62' ' ' CYS . 67.7 t -100.28 134.05 21.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.469 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.1 Cg_endo -69.75 142.28 47.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 m -134.47 140.97 37.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -120.7 -15.75 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.92 -128.51 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.681 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.0 ttm -151.04 150.37 30.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -119.67 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.513 ' OE2' HD21 ' A' ' 80' ' ' LEU . 18.4 tt0 -93.89 113.15 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -121.11 143.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -112.42 121.63 45.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.87 114.14 26.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -112.72 107.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.51 ' SG ' HD22 ' A' ' 15' ' ' LEU . 78.0 m -79.15 -177.68 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -89.01 -55.19 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.6 169.65 16.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 20.3 pt-20 -59.02 -31.7 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -48.73 -56.87 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.75 -36.27 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 104' ' ' MET . 60.2 t80 -55.69 -55.11 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.62 -56.89 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -48.88 -67.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 43.1 m95 -54.6 -65.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 1.9 tpp -36.93 -70.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.42 -33.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.18 -53.14 11.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.3 m -55.77 -38.04 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -66.98 -49.33 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 121' ' ' TYR . 11.1 mt -57.06 -43.02 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.08 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 t -48.9 -46.22 42.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -90.51 -26.95 19.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.78 2.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.23 155.72 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 38' ' ' THR . 19.2 p -134.31 171.48 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.1 mtm -50.18 -32.97 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.48 -36.54 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.22 138.71 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -65.56 -20.08 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -66.46 -19.83 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.9 t80 -52.58 -58.17 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 t -59.79 -27.41 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 -31.1 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.26 -42.56 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.72 -41.9 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.1 -57.55 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.18 -39.71 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LEU . 60.9 mt -66.01 -64.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.6 mt -35.53 -47.63 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.64 -58.18 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.25 -50.39 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.9 mt -51.93 -46.67 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.08 -46.39 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.5 mt . . . . . 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.951 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 9' ' ' PRO . 63.5 mt . . . . . 0 C--O 1.232 0.162 0 CA-C-O 121.591 0.71 . . . . 0.0 111.144 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -129.21 142.73 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.4 mtmt -137.73 115.17 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -172.67 138.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -91.3 110.9 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.86 -174.79 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -81.95 115.65 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.5 mt -119.78 127.71 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -144.34 133.25 22.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -128.13 90.84 46.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.965 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 . . . . . 0 C--O 1.231 0.115 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -133.72 159.61 40.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -91.08 106.6 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -125.48 169.95 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.57 121.52 43.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.3 t -117.14 141.04 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.01 123.76 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.17 127.38 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.3 tptm -116.02 158.0 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 36' ' ' LYS . 14.9 mt-10 -29.32 -71.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.784 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -123.1 24.5 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.7 155.8 49.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -150.39 129.12 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -149.79 160.17 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.542 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 p90 -137.41 175.85 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 2.7 m-85 -145.91 174.49 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.811 ' HG3' HD11 ' A' ' 54' ' ' ILE . 19.1 mttt -92.93 -35.93 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.9 p -146.45 127.56 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -43.27 -23.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' SER . 20.0 m-20 -68.21 -45.11 74.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.1 pt-20 -60.77 -24.56 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -89.44 148.0 39.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.552 0.691 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.88 -51.07 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.321 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.38 -101.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -142.16 123.58 8.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.1 Cg_endo -69.77 139.38 40.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.811 HD11 ' HG3' ' A' ' 44' ' ' LYS . 93.0 mt -43.66 -43.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -166.42 134.12 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.608 ' C ' HD12 ' A' ' 57' ' ' LEU . 14.2 pt20 -109.74 139.34 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -139.26 133.65 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -89.35 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 110' ' ' ALA . 12.2 mt -42.79 -32.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.89 95.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.58 -23.22 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 p -72.6 164.06 27.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.15 164.68 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.91 114.57 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -124.64 100.03 35.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.29 62.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.81 19.14 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 132' ' ' LEU . 46.8 t -50.96 114.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' VAL . 2.2 t-20 -124.67 74.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.2 t -37.56 -38.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' VAL . 41.0 t -34.81 -53.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -122.48 48.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' GLY . 12.9 mm-40 34.87 39.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.75 135.13 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CD2' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -145.44 112.29 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.2 t -137.54 146.62 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.46 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' HD21 ' A' ' 80' ' ' LEU . 35.0 tttt -84.32 100.03 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.815 ' C ' HD22 ' A' ' 80' ' ' LEU . 7.9 tp -88.22 142.23 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 79' ' ' LEU . 3.9 mm? -133.49 114.18 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 57' ' ' LEU . 15.0 t -122.96 102.89 37.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.47 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -145.16 159.67 48.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.46 8.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.95 -39.08 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.89 -103.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.51 128.94 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 m -112.24 80.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.57 117.52 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.46 144.83 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -107.46 129.47 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.2 114.18 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -111.71 126.1 54.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.5 m -95.24 153.24 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.21 -53.66 34.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.76 174.28 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -69.24 -28.75 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.44 ' N ' ' OE2' ' A' ' 97' ' ' GLU . 22.8 mm-40 -55.97 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -54.26 -40.98 68.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.39 -48.89 77.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.43 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HA ' HG22 ' A' ' 125' ' ' VAL . 85.0 mtt180 -51.35 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' MET . 41.4 m95 -54.37 -64.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 23.7 tpp -36.38 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.33 -39.78 4.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -59.36 -55.54 30.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.5 m -58.89 -30.77 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -69.95 -42.48 73.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.667 HD11 ' HA ' ' A' ' 121' ' ' TYR . 12.7 mt -68.66 -55.97 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.808 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -59.42 -27.25 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -57.29 -33.97 68.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -105.82 -2.04 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.93 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.9 150.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.784 HG22 HG23 ' A' ' 38' ' ' THR . 3.6 p -125.72 160.25 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.441 ' HE3' ' O ' ' A' ' 9' ' ' PRO . 8.0 ttm -42.54 -43.96 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' MET . . . -36.3 -36.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.79 136.73 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.0 t -58.27 -34.4 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' TYR . 3.6 m -48.42 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.667 ' HA ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -38.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -56.65 -33.02 65.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.9 t -54.91 -32.38 61.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -78.44 -44.5 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 102' ' ' ARG . 71.2 t -52.86 -43.54 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -69.05 -57.31 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.71 -40.09 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.36 -56.0 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.45 -36.65 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.49 -64.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -42.2 -43.99 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.464 HD21 HG11 ' A' ' 68' ' ' VAL . 71.9 mt -55.98 -48.63 75.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t -61.14 -35.45 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.7 mt . . . . . 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.952 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.8 mm . . . . . 0 C--O 1.231 0.12 0 CA-C-O 121.607 0.718 . . . . 0.0 111.106 . . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.78 114.58 3.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.4 mt-10 -129.29 154.3 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -107.99 145.48 33.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 45.6 mmtt -131.24 105.94 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.9 m-20 -173.28 142.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.2 t-80 -103.78 113.74 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.21 -175.27 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -82.26 115.77 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -116.08 120.77 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 51.6 t80 -122.82 133.0 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.5 mmm180 -132.98 91.0 30.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.204 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.936 0.398 . . . . 0.0 110.915 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -138.58 145.63 40.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.1 87.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 23.6 m170 -109.27 164.62 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -111.51 123.27 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 t -117.14 151.44 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.408 HG21 ' NZ ' ' A' ' 12' ' ' LYS . 98.3 t -147.23 122.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.6 t80 -95.24 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.2 tptt -98.15 157.38 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.6 mm-40 -33.16 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.96 HG23 HG22 ' A' ' 115' ' ' THR . 2.7 p -116.44 22.34 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.506 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -140.83 169.22 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 39' ' ' THR . 3.2 tt -159.49 134.56 8.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -149.08 148.25 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -132.43 165.35 24.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 m-85 -142.41 169.4 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -79.13 -37.68 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 m -136.07 138.48 42.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.62 -43.87 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.46 -53.23 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.93 -63.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -48.28 152.81 1.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.76 -45.75 0.4 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.3 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.53 -99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.3 122.88 18.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.77 117.96 5.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' PRO . 86.8 mt -34.48 -47.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -161.98 107.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -86.6 141.05 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HB3' HG11 ' A' ' 81' ' ' VAL . 14.8 mt -143.11 132.07 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -80.26 93.19 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.431 HD21 HD21 ' A' ' 79' ' ' LEU . 17.2 mt -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -66.86 97.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.66 6.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -75.57 -175.68 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.83 157.21 20.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.8 t -136.04 129.31 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 21.6 t -134.52 99.91 12.76 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.78 127.34 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -121.01 78.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 132' ' ' LEU . 19.5 t -103.19 123.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.3 t-20 -120.24 73.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' SER . 85.8 t -36.65 -42.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' VAL . 4.6 m -36.17 -47.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -125.06 42.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' GLY . 21.7 mm100 36.6 48.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.385 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -97.48 117.21 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CD1' HG13 ' A' ' 68' ' ' VAL . 45.6 m-85 -126.71 93.33 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.0 m -121.46 145.9 47.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.09 107.66 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.912 ' HE3' HD21 ' A' ' 80' ' ' LEU . 35.7 tttp -81.98 106.43 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.529 ' C ' HD22 ' A' ' 80' ' ' LEU . 11.5 tp -97.63 131.08 44.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.1 mm? -126.24 109.75 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HB3' ' A' ' 57' ' ' LEU . 17.9 t -120.18 121.49 29.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 111.142 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.38 32.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.379 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -141.26 144.21 33.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -88.59 -24.43 22.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.68 -107.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.8 tpt -149.68 139.93 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -116.52 84.21 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -99.36 111.39 23.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.35 143.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.63 112.86 20.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.03 119.59 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -111.26 113.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.9 166.98 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -87.86 -50.77 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.81 159.01 37.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 14.4 pt-20 -58.51 -31.2 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -52.08 -49.02 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -74.13 -45.56 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -50.53 -47.68 57.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -57.9 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -47.23 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 52.8 m95 -53.16 -66.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' TRP . 5.2 tpp -37.57 -71.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.84 -40.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.47 74.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.95 -34.4 71.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -68.5 -39.43 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ARG . 93.6 mt -56.01 -58.84 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.77 74.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.8 t -45.47 -40.6 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.94 -18.51 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 125.1 -30.31 4.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 109' ' ' LEU . 8.6 ptm180 -70.16 155.72 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.96 HG22 HG23 ' A' ' 38' ' ' THR . 1.3 p -123.87 174.29 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 118' ' ' ASP . 76.1 mtm -55.21 -32.98 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' MET . 7.4 t70 -81.29 127.87 33.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 122' ' ' THR . 22.9 p -51.87 -35.31 44.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 123' ' ' SER . 9.5 t -50.2 -32.94 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.8 -66.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 119' ' ' SER . 5.2 t -48.42 -28.01 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 120' ' ' SER . 1.8 t -58.75 -34.77 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.17 -42.19 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.51 -39.83 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.88 -54.86 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.29 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.33 -64.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.93 -37.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.85 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 31.4 t80 -42.48 -57.95 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.903 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.517 ' CD2' HG11 ' A' ' 68' ' ' VAL . 95.8 mt -47.11 -44.5 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 t -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.0 mt . . . . . 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -120.51 143.75 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -109.54 135.2 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -120.1 109.56 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -175.05 142.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.5 t-80 -100.55 112.25 24.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.68 -174.92 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -81.97 115.86 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -117.38 126.35 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t80 -150.91 133.22 15.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -130.03 83.44 63.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 58.6 m-85 . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 . . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtp85 -136.24 160.35 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -70.28 93.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 46.7 m170 -119.31 169.57 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -110.07 138.32 46.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.92 151.24 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -145.83 122.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 17.7 t80 -95.18 119.5 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.0 tptt -104.62 157.37 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB3' HG21 ' A' ' 115' ' ' THR . 45.7 mt-10 -33.21 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.5 22.53 12.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -139.48 167.79 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.442 ' H ' HG22 ' A' ' 39' ' ' THR . 2.0 tt -159.76 133.74 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -142.18 154.53 44.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -141.02 138.63 33.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -123.16 165.23 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -73.73 -40.69 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.7 p -141.34 144.64 34.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -53.98 -42.48 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -48.14 -51.45 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.59 -53.92 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.52 132.16 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.699 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.74 -46.79 0.34 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.352 -0.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.19 -100.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -148.12 113.19 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.8 128.36 15.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' PRO . 73.7 mt -34.11 -40.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.534 ' NE2' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -174.97 114.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -91.64 138.66 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.76 145.13 31.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.483 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 4.1 t30 -90.82 113.93 26.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.22 -42.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 5.1 ttpm? -57.45 107.56 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.99 -18.9 9.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.422 ' CB ' HG22 ' A' ' 81' ' ' VAL . 15.4 p -87.03 -175.62 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -124.79 162.42 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 64' ' ' VAL . 12.4 p -144.47 114.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.4 t -110.83 123.11 36.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.57 4.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.82 31.97 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.47 148.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -134.45 96.7 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.63 -33.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -42.57 -45.59 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.77 32.71 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 44.13 46.18 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -114.44 153.24 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -153.56 120.04 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -132.36 146.98 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.22 96.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -75.02 98.99 3.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.16 128.93 40.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 87' ' ' MET . 14.7 mt -119.89 104.81 10.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD12 ' A' ' 57' ' ' LEU . 73.8 t -106.61 125.62 32.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 135.96 31.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 p -131.94 142.56 45.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -117.97 -2.97 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.41 -102.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 80' ' ' LEU . 7.0 ttm -166.54 144.36 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -113.24 81.4 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -89.78 118.77 29.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.01 142.34 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -110.82 116.35 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -115.1 119.53 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -109.51 132.58 54.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -105.41 148.44 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.39 -57.21 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -129.63 178.62 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.04 -32.76 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -48.88 -54.31 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -69.48 -44.8 70.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -49.37 -59.69 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.6 -42.64 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -63.06 -67.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 30.4 m95 -55.71 -59.86 4.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.2 tpp -44.62 -64.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.9 -35.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.06 -53.42 14.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.4 m -54.05 -35.85 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -68.7 -37.08 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HA ' ' A' ' 121' ' ' TYR . 21.9 mt -69.38 -51.57 35.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.4 t -47.23 -43.06 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -94.54 -30.59 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.06 -25.11 2.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' LEU . 96.0 mtt180 -65.51 152.78 43.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 38' ' ' THR . 21.7 p -134.09 162.3 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 49.0 mtm -42.05 -34.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.41 -42.16 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.9 147.02 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.2 p -74.82 -2.37 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -79.76 -19.19 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.628 ' HA ' HD11 ' A' ' 109' ' ' LEU . 10.4 t80 -50.88 -48.31 60.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 t -66.31 -31.58 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t -56.4 -25.04 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 128' ' ' ILE . 27.3 mt-10 -86.31 -40.22 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.52 -38.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -72.73 -61.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.31 -42.22 14.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 124' ' ' GLU . 60.3 mt -64.44 -58.18 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.3 mt -46.61 -43.5 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.45 -64.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 130' ' ' ALA . 53.3 t80 -37.25 -51.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.2 mt -50.59 -47.84 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -54.95 -47.82 73.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 mt . . . . . 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.981 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt . . . . . 0 C--O 1.232 0.163 0 CA-C-O 121.6 0.714 . . . . 0.0 111.128 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.14 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -136.91 138.91 41.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.36 143.55 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.4 mmmt -131.77 105.78 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -171.07 147.29 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.4 t-80 -103.7 110.4 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.81 -174.57 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 11.6 mmp_? -81.82 115.6 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.7 mt -114.58 124.41 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 12.4 t80 -133.79 132.07 40.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -129.1 90.91 43.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.8 Cg_endo . . . . . 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 42.1 m-85 . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 . . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 5.7 ttp180 -128.5 156.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.4 97.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.7 m170 -122.51 169.81 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -114.83 127.99 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 34' ' ' VAL . 92.6 t -121.92 152.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 33' ' ' VAL . 97.0 t -149.27 126.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.2 t80 -95.27 128.31 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.1 tptp -110.53 157.82 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' LYS . 30.3 mt-10 -30.9 -61.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.507 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -130.52 14.4 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.8 163.78 22.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 59' ' ' LEU . 3.8 tt -154.02 131.82 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -149.37 169.96 19.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -152.32 167.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.16 160.02 41.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 54' ' ' ILE . 42.1 mtmt -55.91 -34.7 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -154.67 153.26 31.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -58.01 -38.65 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -52.94 63.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -41.91 -53.61 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -58.88 150.92 57.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.72 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.321 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.25 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' PRO . 19.2 t70 -150.15 122.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 132.84 24.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.602 HD11 ' N ' ' A' ' 44' ' ' LYS . 41.5 mt -50.24 -36.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 57' ' ' LEU . 4.5 tm0? -175.0 139.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -125.09 140.4 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -138.64 146.58 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -86.73 105.86 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.537 ' CD2' HD21 ' A' ' 79' ' ' LEU . 57.8 mt -53.85 -21.07 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 99.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -35.04 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -52.96 177.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -116.04 154.93 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.32 120.15 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 16.5 t -122.96 94.77 46.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.716 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.74 102.75 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.98 34.61 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 6.7 m -73.36 146.11 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -130.7 88.52 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.8 -37.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -46.3 -41.4 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.59 32.37 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 40.26 44.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 39.3 tttt -117.06 146.81 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -146.34 121.53 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.23 149.05 50.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -128.64 94.42 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -74.42 113.33 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 59' ' ' LEU . 10.4 tp -98.13 109.02 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.22 115.28 30.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.34 116.31 37.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 139.16 39.66 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -139.12 147.34 53.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.683 0.754 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.85 37.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -92.88 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.55 -134.91 2.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.57 130.23 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 m -124.67 118.0 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CE2' ' A' ' 91' ' ' TYR . 1.8 pp20? -117.13 156.5 27.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.0 mt -140.5 123.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . 0.589 ' CE2' ' OE2' ' A' ' 89' ' ' GLU . 39.0 m-85 -97.64 124.02 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.9 mt -123.16 115.44 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -109.76 114.12 27.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.0 m -80.2 174.88 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -92.41 -53.05 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.03 168.49 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.92 -29.67 67.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -55.79 -49.8 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -71.44 -46.63 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 7.4 t80 -48.53 -57.12 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -41.76 -63.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 65.7 m95 -61.41 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 103' ' ' TRP . 12.4 tpp -37.72 -66.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.63 -36.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.18 -55.52 15.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -56.58 -40.45 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.83 -32.99 68.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 116' ' ' MET . 18.5 mt -73.45 -56.06 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.57 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -43.33 -48.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -89.46 -8.92 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.11 -8.1 27.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.49 149.71 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 38' ' ' THR . 63.3 p -101.55 164.9 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.61 ' HA ' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp -78.73 -20.19 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.81 80.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -54.28 142.0 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 122' ' ' THR . 2.6 m -54.58 -36.86 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 t -46.03 -29.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.49 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.0 t80 -45.89 -53.88 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 119' ' ' SER . 4.7 t -57.5 -35.94 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.8 t -50.15 -33.17 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.06 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.5 t -45.43 -40.23 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.38 -62.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.1 -36.06 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.0 mt -70.17 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 35.8 mt -43.26 -49.49 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 134' ' ' LEU . 51.7 t80 -38.17 -51.19 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.85 -51.89 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -54.02 -45.33 71.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 131' ' ' PHE . 53.7 mt . . . . . 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.968 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.614 HG21 ' HE3' ' A' ' 36' ' ' LYS . 30.1 mm . . . . . 0 C--O 1.231 0.107 0 CA-C-O 121.651 0.739 . . . . 0.0 111.134 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.77 106.47 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.311 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 8' ' ' ILE . 8.0 mt-10 -122.49 158.82 28.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.45 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.7 mt -106.16 153.53 21.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 14.5 mmtp -138.01 106.52 5.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.8 148.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.7 t-80 -104.41 113.57 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.422 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.2 mt -88.01 -174.99 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 64.6 mmt-85 -82.05 115.69 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.9 127.31 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 27.2 t80 -138.89 136.02 35.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -134.12 86.95 35.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.454 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.439 ' CE2' ' HB3' ' A' ' 16' ' ' ARG . 45.7 m-85 . . . . . 0 C--O 1.231 0.12 0 CA-C-O 120.872 0.368 . . . . 0.0 110.952 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 31.5 mtm180 -101.37 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.44 91.58 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 9.1 m170 -117.26 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -109.85 130.83 55.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.2 t -122.4 145.77 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.4 t -139.57 122.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 24.5 t80 -95.23 127.35 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE3' HG21 ' A' ' 8' ' ' ILE . 14.8 tptm -113.1 157.49 21.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 16.0 mt-10 -32.44 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -117.01 24.65 11.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 40' ' ' LEU . 8.1 m -141.75 168.14 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 59' ' ' LEU . 2.2 tt -155.38 139.53 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 40' ' ' LEU . 75.6 m -149.35 156.7 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -152.16 152.1 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -128.21 160.05 33.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -60.37 -36.48 78.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -149.14 135.48 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -46.95 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -53.53 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -44.59 -58.05 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.95 151.2 4.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.73 -48.28 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.329 -0.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.49 -102.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -147.32 124.9 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.93 29.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -43.78 -53.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.9 mt-30 -146.61 109.32 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.46 122.02 34.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -141.99 153.63 44.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -98.47 106.65 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 40' ' ' LEU . 32.8 mt -38.45 -41.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -42.54 120.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.5 -36.54 4.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.527 ' CB ' HG22 ' A' ' 81' ' ' VAL . 11.1 p -61.49 173.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -115.71 151.0 35.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 64' ' ' VAL . 7.5 p -134.17 120.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -119.69 125.93 27.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -127.21 33.65 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 2.3 m -85.78 146.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -132.57 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -37.17 -43.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 m -39.9 -48.11 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -109.01 40.52 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' GLY . 18.5 mm-40 34.84 52.4 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.546 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 32.9 ttpt -122.55 153.88 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 1.5 m-85 -158.26 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.78 141.21 51.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -111.7 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -72.41 103.43 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 59' ' ' LEU . 10.6 tp -98.72 133.14 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mt -134.64 98.92 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.755 HG21 HD12 ' A' ' 57' ' ' LEU . 59.8 t -98.98 122.21 53.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 147.73 63.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.1 m -151.52 143.01 15.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.42 8.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.64 -24.1 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.41 -136.19 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 9.5 tpt -136.46 128.79 30.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -102.99 98.19 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -104.11 117.37 34.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.0 mt -122.48 135.49 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.1 115.51 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.5 mt -112.13 122.48 47.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -122.24 124.41 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 15' ' ' LEU . 81.6 m -92.46 169.69 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.49 -41.13 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -132.29 176.2 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.3 OUTLIER -73.21 -29.3 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 18.4 mm-40 -55.33 -61.82 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.18 -37.54 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 6.1 t80 -59.03 -67.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.08 -48.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -52.89 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 57.0 m95 -55.88 -56.71 17.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.2 tpp -41.54 -64.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.62 -30.77 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.24 -52.55 26.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 62.8 m -61.6 -37.29 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.32 -37.93 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 121' ' ' TYR . 56.4 mt -70.2 -54.16 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.47 90.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 t -40.75 -42.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -96.76 -22.32 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 -36.62 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 109' ' ' LEU . 75.5 mtm180 -49.48 160.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.561 HG22 HG23 ' A' ' 38' ' ' THR . 21.0 p -134.27 -175.01 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 42.4 mtm -83.38 18.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.25 13.94 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -94.4 27.15 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.7 t 38.43 31.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 16.8 m -134.02 -33.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.494 ' HA ' HD11 ' A' ' 109' ' ' LEU . 3.7 t80 -38.19 -61.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -49.59 -34.22 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' SER . 1.5 t -53.75 -38.12 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.39 -53.92 12.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -43.46 -42.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.54 -58.11 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.44 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' LEU . 71.1 mt -55.41 -62.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 47.7 mt -37.06 -43.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.65 -61.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -38.92 -47.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.3 -47.44 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -52.84 -35.1 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.8 mt . . . . . 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.964 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 ' HG3' ' A' ' 10' ' ' GLU . 35.3 mm . . . . . 0 C--O 1.232 0.145 0 CA-C-O 121.591 0.71 . . . . 0.0 111.18 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.8 Cg_endo -69.76 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.679 ' HG3' HG22 ' A' ' 8' ' ' ILE . 31.2 mt-10 -120.78 138.1 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -95.95 137.2 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 34.1 mmtm -122.73 109.0 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.4 m-20 -175.01 144.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.11 114.76 29.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 94' ' ' CYS . 4.3 mt -89.7 -174.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.92 115.65 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -114.33 127.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -150.65 136.18 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -129.81 129.44 23.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.971 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 51.8 m-85 . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -146.27 168.99 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -79.87 106.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 14.5 m-70 -130.32 170.21 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -108.16 131.01 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.69 148.23 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.52 123.48 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.0 t80 -95.04 133.17 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.2 tptm -119.13 157.67 27.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 38.8 mt-10 -32.8 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.483 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.5 24.53 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.614 HG22 ' N ' ' A' ' 40' ' ' LEU . 30.0 m -141.79 166.43 24.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.614 ' N ' HG22 ' A' ' 39' ' ' THR . 5.6 tt -162.03 134.6 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 40' ' ' LEU . 54.6 m -149.39 157.08 43.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.647 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.0 p90 -133.34 172.23 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -149.26 162.15 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.2 ptmm? -94.76 -34.74 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -124.59 113.92 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 46' ' ' GLN . 5.8 tm0? -48.04 -19.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.27 -34.88 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -58.98 -28.23 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -100.83 163.79 17.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.688 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.767 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.75 -0.25 6.07 Favored 'Cis proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.343 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -19.96 -92.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.22 128.73 7.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.77 153.56 68.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 44' ' ' LYS . 92.3 mt -61.4 -44.45 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.598 ' NE2' HD21 ' A' ' 57' ' ' LEU . 7.6 tt0 -160.24 108.89 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -86.41 138.79 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.598 HD21 ' NE2' ' A' ' 55' ' ' GLN . 1.3 mt -141.18 129.23 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 60' ' ' LYS . 30.4 t-20 -82.46 108.96 16.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.0 mt -51.76 -35.28 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.454 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -61.18 99.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -27.42 5.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.89 -179.29 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.66 154.17 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -131.55 119.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.85 94.75 42.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 119.36 6.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.38 82.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.37 125.57 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -119.11 73.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.95 -35.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -42.92 -41.82 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -123.59 40.96 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 72' ' ' GLY . 33.7 mm-40 36.82 47.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -103.41 153.02 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 48.8 m-85 -156.02 106.82 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -123.97 144.03 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -121.82 104.69 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.3 tttt -78.97 139.14 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 78' ' ' LYS . 6.2 mp -124.85 110.85 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.21 97.12 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 57' ' ' LEU . 41.1 t -105.48 102.83 39.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.11 24.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 m -127.57 154.61 77.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -113.15 -35.13 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.29 -133.13 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.3 tpt -148.1 124.07 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 t -104.28 92.51 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 6.5 pt-20 -101.26 112.03 24.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.7 mt -114.31 148.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -119.12 125.09 48.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -122.32 119.5 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.538 ' SG ' HD22 ' A' ' 15' ' ' LEU . 86.9 m -89.5 173.96 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.42 -54.94 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -130.85 172.81 11.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 8.5 pt-20 -62.41 -33.1 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -47.29 -58.6 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -68.27 -48.59 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 104' ' ' MET . 4.9 t80 -46.27 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -37.96 -58.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -44.83 -64.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.6 m95 -56.65 -63.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.414 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 8.7 tpp -38.45 -69.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.09 -33.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.071 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.84 -52.58 14.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.6 m -55.59 -40.9 72.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -61.01 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.581 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.4 mt -61.99 -52.89 62.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.23 83.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.8 t -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 140.46 -26.34 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -56.0 150.12 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.483 HG22 HG23 ' A' ' 38' ' ' THR . 65.0 p -118.1 155.79 29.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 26.2 mtm -50.22 -32.74 17.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.93 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -67.73 141.24 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.7 m -65.84 -5.4 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -80.62 -11.86 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.581 ' HA ' HD11 ' A' ' 109' ' ' LEU . 25.9 t80 -58.92 -72.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 t -52.6 -32.51 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -54.1 -28.46 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -47.86 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.15 -39.17 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -72.66 -53.18 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.52 -34.68 50.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 84.2 mt -72.32 -54.57 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.95 -48.76 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.46 -57.4 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 134' ' ' LEU . 71.7 t80 -41.5 -46.38 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.461 HD12 ' OE1' ' A' ' 97' ' ' GLU . 90.4 mt -57.97 -52.15 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.7 t -53.46 -44.43 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt . . . . . 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.602 HG21 ' HE3' ' A' ' 36' ' ' LYS . 37.6 mm . . . . . 0 C--O 1.231 0.096 0 CA-C-O 121.598 0.714 . . . . 0.0 111.136 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.71 102.74 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 8' ' ' ILE . 40.3 mt-10 -118.6 150.67 39.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -107.78 139.68 41.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.0 mmtp -127.5 108.17 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-20 -173.58 145.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 7.7 t-80 -101.49 113.68 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.5 mt -89.5 -174.92 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -81.97 115.7 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 mt -118.24 131.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.577 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 78.2 t80 -137.88 131.74 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -134.99 92.78 18.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 86.5 m-85 . . . . . 0 C--O 1.232 0.14 0 CA-C-O 120.855 0.359 . . . . 0.0 110.936 . . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -161.06 175.97 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 60.3 tt0 -101.95 83.09 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.596 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 17.5 m-70 -103.25 165.1 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.472 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 53.1 t-105 -101.67 127.84 48.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 t -120.52 136.48 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.37 118.94 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.25 134.6 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.2 tptm -122.15 157.88 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' LYS . 41.6 mt-10 -31.39 -71.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.591 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -119.03 20.88 12.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.61 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.446 ' C ' HD23 ' A' ' 40' ' ' LEU . 7.2 tt -151.0 122.28 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.73 160.63 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CE1' ' HB ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.09 155.7 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -138.56 174.52 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -64.46 -20.9 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -174.4 163.0 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.472 ' N ' ' HB2' ' A' ' 32' ' ' TRP . 32.7 tt0 -63.6 -45.32 90.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.1 m-20 -53.26 -59.2 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ASP . 36.6 mm-40 -35.57 -51.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -51.25 161.89 0.71 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.714 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.8 -45.4 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.29 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.09 -101.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -164.49 133.05 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.728 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.592 ' N ' ' CE2' ' A' ' 43' ' ' TYR . 53.7 Cg_endo -69.79 129.58 17.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 42' ' ' TYR . 19.6 mt -33.25 -44.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -175.31 136.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.4 pp0? -109.21 167.02 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.51 ' HB3' HG11 ' A' ' 81' ' ' VAL . 1.3 mt -149.49 110.62 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.29 93.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -48.94 -19.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.84 82.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.71 12.4 6.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.05 176.61 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.13 141.84 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -117.45 123.0 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 94.8 t -124.96 96.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.73 118.89 5.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -115.67 32.71 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.89 143.71 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -131.9 85.13 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.3 t -43.97 -36.56 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' VAL . 73.5 m -35.51 -42.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -128.63 48.01 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mm-40 36.58 45.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.79 134.25 51.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -137.47 117.91 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.15 151.59 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.28 101.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' HD13 ' A' ' 80' ' ' LEU . 9.8 ttpt -82.14 123.99 29.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -107.53 108.96 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.569 HD13 ' HE3' ' A' ' 78' ' ' LYS . 8.1 tp -108.98 106.4 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.51 HG11 ' HB3' ' A' ' 57' ' ' LEU . 73.4 t -111.48 102.81 54.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -158.2 152.46 20.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.11 6.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -91.43 -42.05 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' MET . . . 157.25 119.63 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' GLY . 8.5 tpt -34.52 136.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 m -128.78 107.4 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 3.9 pt-20 -113.88 116.71 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 92' ' ' LEU . 85.3 mt -112.6 138.6 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -102.69 119.19 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 90' ' ' ILE . 22.0 mt -120.01 114.3 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 94' ' ' CYS . 13.9 tpt85 -108.43 126.05 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 78.2 m -93.92 161.5 14.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.38 -51.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -32.87 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -51.58 -50.09 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -72.11 -47.62 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.29 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.96 -53.67 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -49.31 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 51.5 m95 -56.76 -63.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 tpp -39.56 -68.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.14 -38.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.69 -56.89 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 97.9 m -54.77 -36.5 64.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 -63.87 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.67 -48.92 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.84 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -47.26 -27.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -110.61 -15.03 13.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.31 -29.45 5.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -55.0 162.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.591 HG22 HG23 ' A' ' 38' ' ' THR . 76.1 p -127.79 150.5 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.9 ttm -46.23 -42.59 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.38 -39.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.16 140.49 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' THR . 22.7 t -64.64 -18.39 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.0 t -63.22 -26.83 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -49.49 -61.69 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 119' ' ' SER . 2.3 t -54.27 -34.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 t -55.91 -28.3 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 128' ' ' ILE . 20.1 mt-10 -83.56 -35.15 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.82 -37.5 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.68 -53.99 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.59 -46.67 58.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 124' ' ' GLU . 55.5 mt -59.26 -59.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.44 -45.38 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.63 -57.59 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -40.54 -58.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.5 mt -44.01 -47.24 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.2 t -54.26 -35.88 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.0 mt . . . . . 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.956 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 9' ' ' PRO . 12.5 mt . . . . . 0 C--O 1.231 0.089 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.74 95.78 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -117.6 139.61 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -103.77 149.08 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -136.45 105.87 6.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.4 m-20 -173.29 152.0 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.8 t-80 -111.2 114.61 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -90.43 -174.94 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 9.6 mpt_? -82.28 115.73 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -116.97 124.39 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -134.81 135.81 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -130.27 109.62 16.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.558 0.694 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo . . . . . 0 C--O 1.231 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.968 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 72.3 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.899 0.38 . . . . 0.0 110.944 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 5.6 tpm_? -108.28 150.06 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 47.1 tt0 -61.94 95.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 5.4 m-70 -120.67 169.18 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.428 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 55.5 t-105 -112.79 136.37 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.46 146.3 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.5 t -141.22 127.13 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 16.1 t80 -98.44 121.5 40.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 55.0 tptt -108.45 157.51 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 7.3 mm-40 -32.68 -73.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.642 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.79 23.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 40' ' ' LEU . 14.0 m -139.97 168.21 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -160.33 137.36 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 40' ' ' LEU . 6.2 m -148.76 161.49 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -148.81 158.34 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -134.96 171.82 13.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.446 ' HB3' HD11 ' A' ' 54' ' ' ILE . 11.3 ptpt -74.28 -38.1 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -140.98 152.55 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.428 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.8 mp0 -63.3 -43.77 96.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.28 -52.41 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -42.27 -52.63 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.2 132.19 24.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.9 Cg_endo -69.7 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.393 -0.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.45 -99.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.85 124.77 3.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 44' ' ' LYS . 74.6 mt -49.92 -44.6 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -161.43 112.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.686 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.3 mt-30 -98.58 140.92 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLN . 11.5 mt -147.96 157.93 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -99.1 109.3 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 40' ' ' LEU . 19.0 mt -52.33 -29.6 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -68.39 88.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.03 -19.37 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -79.39 172.96 13.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.93 156.6 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.83 121.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 87.3 t -126.94 98.21 31.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.48 34.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 4.8 m -73.43 147.19 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 71' ' ' SER . 61.1 t-20 -133.77 92.03 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -53.59 -20.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 69' ' ' ASN . 5.8 t -54.88 -52.31 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.95 48.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' GLY . 55.5 mm-40 35.57 52.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -115.05 144.44 43.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -151.8 112.45 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.3 138.39 44.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 104' ' ' MET . 26.6 mt -109.62 117.73 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . 0.909 ' HE2' HD13 ' A' ' 80' ' ' LEU . 4.7 tmtt? -92.31 109.37 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -95.06 129.83 41.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.909 HD13 ' HE2' ' A' ' 78' ' ' LYS . 7.4 tp -124.21 107.35 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 57' ' ' LEU . 27.0 t -117.49 109.32 42.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 149.35 66.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 2.3 m -139.46 151.32 66.5 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.67 14.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -129.2 -30.49 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . 0.436 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 174.84 106.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE1' HD12 ' A' ' 80' ' ' LEU . 2.7 ppp? -50.28 166.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.413 ' N ' ' SD ' ' A' ' 87' ' ' MET . 1.2 t -132.94 111.21 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.1 118.5 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.6 mp -112.71 141.17 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -116.25 106.56 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -105.83 122.38 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -112.19 127.4 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.7 m -96.68 166.73 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.91 -62.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -116.71 169.81 9.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 7.2 pt-20 -68.77 -27.28 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -56.63 -44.27 81.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.73 -47.51 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.517 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 4.4 t80 -50.11 -42.56 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.84 95.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -56.88 -55.28 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 46.4 m95 -66.08 -67.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.472 ' HE1' HG23 ' A' ' 77' ' ' ILE . 14.8 tpp -37.43 -63.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.46 -37.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.453 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -69.37 -56.18 9.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.0 m -52.49 -42.05 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.1 -32.27 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.453 HD12 ' HA2' ' A' ' 106' ' ' GLY . 17.4 mt -72.79 -55.4 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.14 94.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t -40.63 -44.04 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -90.95 -21.46 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.469 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 131.4 -34.05 2.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -54.25 163.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.642 HG22 HG23 ' A' ' 38' ' ' THR . 81.5 p -134.57 157.5 46.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.3 mtm -49.36 -40.14 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.71 128.85 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 121' ' ' TYR . 50.6 m -47.44 -45.55 25.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.2 t -38.27 -28.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.3 t80 -47.56 -54.76 10.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 119' ' ' SER . 7.0 t -60.43 -31.24 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -57.05 -34.31 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -76.02 -44.03 41.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.8 -37.86 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -73.64 -58.02 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.32 -37.76 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.27 -58.92 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.36 -41.76 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -74.5 -61.58 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 134' ' ' LEU . 77.7 t80 -37.11 -55.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 48.8 mt -47.49 -45.63 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.4 t -59.32 -41.35 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 131' ' ' PHE . 36.7 mt . . . . . 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.59 HG21 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm . . . . . 0 C--O 1.231 0.118 0 CA-C-O 121.623 0.725 . . . . 0.0 111.122 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 114.97 3.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.0 mt-10 -136.24 148.45 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 35' ' ' PHE . 1.9 mt -105.87 134.72 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 1.6 mmmm -117.56 108.48 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.1 m-20 -174.95 143.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.1 t-80 -98.74 113.52 25.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.08 -175.09 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.1 tpm_? -82.11 116.13 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mt -118.81 127.36 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 5.4 t80 -145.45 132.04 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 29.5 mtp180 -133.42 107.09 12.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.548 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 99.2 m-85 . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 . . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -134.11 178.28 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -98.1 101.05 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 10.4 m-70 -125.88 167.75 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 66.9 t-105 -106.57 139.81 40.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.89 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.3 t -143.66 123.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 14.3 t80 -95.54 132.41 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.59 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.0 tptm -115.92 157.83 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.9 mt-10 -31.87 -72.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.65 22.5 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.19 165.06 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 41' ' ' SER . 6.1 tt -155.86 125.48 6.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' HD23 ' A' ' 40' ' ' LEU . 71.8 m -140.73 153.35 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -140.55 173.32 11.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -144.51 170.16 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.5 pttm -78.48 -37.23 43.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 m -132.7 137.6 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.524 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.3 tt0 -62.06 -27.68 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' CA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -49.45 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.684 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -38.08 151.89 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.73 -48.54 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.36 -0.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.03 -94.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' PRO . 7.5 p-10 -143.47 118.56 6.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.81 15.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HB3' ' A' ' 44' ' ' LYS . 96.3 mt -41.67 -42.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -159.48 128.91 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.422 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.5 pt20 -111.17 131.53 55.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -140.44 128.24 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 39.0 t-20 -82.8 108.26 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.9 -39.55 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -49.34 96.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.69 21.94 6.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.9 p -107.84 -174.93 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -109.45 152.6 25.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.4 121.86 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.15 95.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.91 13.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -111.6 25.77 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 89.5 t -66.84 131.28 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' VAL . 24.3 m-20 -133.38 78.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ASN . 94.8 t -35.1 -36.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -41.09 -56.48 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.35 36.67 4.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 37.8 47.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -106.47 155.26 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -153.27 105.19 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.24 140.14 52.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 79' ' ' LEU . 40.4 mt -117.75 96.5 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -68.67 122.1 17.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -116.41 112.81 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.51 107.27 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.789 HG21 HD12 ' A' ' 57' ' ' LEU . 92.7 t -106.8 128.0 26.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.72 26.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -137.84 140.17 28.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -0.84 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -119.15 -20.58 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.59 -143.9 7.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.5 ttm -138.16 135.36 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -108.65 81.78 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -94.13 115.99 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.91 150.52 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -113.77 109.88 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.97 114.18 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -110.62 100.76 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.1 m -70.73 167.94 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.19 -50.99 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -125.48 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 12.7 pt-20 -68.36 -28.29 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -55.0 -60.66 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -62.57 -44.2 96.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . 0.641 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 4.1 t80 -49.92 -56.13 11.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -51.64 -66.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ALA . 78.7 mtt180 -35.57 -66.98 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 37.3 m95 -56.24 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.9 tpp -38.15 -66.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.82 -40.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.65 -56.5 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.1 m -51.92 -41.54 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.94 -39.69 94.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.1 mt -66.84 -42.96 84.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.24 63.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -49.87 -47.28 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.18 -32.63 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.33 -23.28 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LEU . 94.3 mtt180 -60.15 152.84 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 38' ' ' THR . 80.9 p -125.9 149.56 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 28.4 mtm -43.88 -32.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.44 -39.92 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.64 163.89 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.7 m -79.88 -23.93 41.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 m -53.99 -34.07 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.73 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.7 t80 -38.68 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -52.88 -32.08 43.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 t -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -54.29 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.32 -38.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.39 -57.82 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.86 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.84 -62.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 23.3 mt -39.85 -47.1 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.82 -59.91 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 130' ' ' ALA . 78.6 t80 -36.4 -53.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 95.3 mt -44.18 -44.04 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.8 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.4 mt . . . . . 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.977 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 10' ' ' GLU . 47.7 mm . . . . . 0 C--O 1.231 0.128 0 CA-C-O 121.612 0.72 . . . . 0.0 111.116 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.75 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' HG22 ' A' ' 8' ' ' ILE . 15.4 mt-10 -116.94 151.17 37.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . 0.538 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.19 140.73 35.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 27.5 mmtm -124.35 105.84 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.3 m-20 -174.49 142.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.5 111.93 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.04 -175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 8.1 ttm180 -81.95 115.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -115.22 137.32 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.3 t80 -152.58 136.88 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 18.5 mtm105 -143.71 105.04 4.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.3 Cg_endo . . . . . 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 17.6 m-85 . . . . . 0 C--O 1.23 0.071 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.11 170.22 16.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.94 108.65 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 67.0 m-70 -131.64 169.68 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -111.98 128.44 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -123.11 145.74 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.74 126.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 11' ' ' LEU . 21.7 t80 -96.78 119.89 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HE3' HG21 ' A' ' 8' ' ' ILE . 16.7 tptm -104.09 157.72 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 36' ' ' LYS . 24.9 mt-10 -32.4 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.0 24.47 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.4 m -143.23 166.35 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.469 ' H ' HG22 ' A' ' 39' ' ' THR . 4.9 tt -159.11 124.65 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' HD23 ' A' ' 40' ' ' LEU . 26.2 m -140.23 159.32 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -142.9 170.3 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -143.85 167.49 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -70.02 -18.49 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.6 t -163.57 149.81 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . 0.448 ' C ' ' CD ' ' A' ' 46' ' ' GLN . 5.9 tm0? -59.78 -39.88 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.08 -55.72 24.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -41.11 -52.8 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.53 133.26 6.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.4 Cg_endo -69.77 -39.42 1.34 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.321 -0.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.65 -97.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -158.18 122.37 2.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 123.86 10.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -39.99 -43.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . 0.697 ' NE2' HD11 ' A' ' 57' ' ' LEU . 1.2 tt0 -166.85 107.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' HG ' ' A' ' 57' ' ' LEU . 16.7 pt20 -93.35 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.697 HD11 ' NE2' ' A' ' 55' ' ' GLN . 3.0 mt -148.47 163.99 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -99.9 120.92 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 79' ' ' LEU . 41.6 mt -67.97 -38.05 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -59.6 104.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.23 -21.16 8.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 p -79.85 -179.76 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.67 159.41 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.5 t -139.29 112.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 42.0 t -107.46 101.59 40.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.157 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.76 123.29 9.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.43 75.06 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 132' ' ' LEU . 96.2 t -101.36 119.32 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' SER . 36.6 t30 -115.48 68.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -39.58 -28.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.0 t -44.94 -46.42 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.37 42.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 40.78 50.31 2.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.977 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -106.26 131.13 53.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -137.31 106.73 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 55.4 m -131.34 149.83 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.6 mt -117.92 125.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -102.73 108.58 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 59' ' ' LEU . 9.9 tp -98.94 114.08 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.76 98.66 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.49 131.15 21.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 150.6 68.18 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -143.24 156.51 61.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -106.66 -40.8 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.45 -93.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 88' ' ' SER . 7.1 tpp -155.07 122.0 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . 0.439 ' N ' ' SD ' ' A' ' 87' ' ' MET . 3.6 m -97.21 94.86 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 118.52 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.5 mt -107.0 137.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -107.78 125.06 50.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.3 mt -124.46 114.24 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -103.1 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 65.5 m -80.33 162.22 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -77.6 -61.27 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -121.94 179.9 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -69.97 -27.25 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 15.8 mm-40 -58.04 -57.96 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -63.82 -35.04 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -59.21 -56.61 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.33 64.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -51.0 -63.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.0 m95 -60.52 -62.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 tpp -41.27 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.22 -36.22 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -66.4 -54.44 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.6 m -55.77 -39.85 71.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 121' ' ' TYR . 25.0 mt -67.01 -52.9 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -61.81 -40.79 96.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -39.82 -32.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -105.73 -17.5 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . 122.36 -10.24 9.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -67.83 151.85 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.442 HG22 HG23 ' A' ' 38' ' ' THR . 82.2 p -118.93 145.05 46.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.7 ttp -44.79 -36.62 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.79 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.82 134.93 57.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 122' ' ' THR . 58.0 m -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 123' ' ' SER . 83.3 p -55.91 -34.42 65.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.7 t80 -36.24 -65.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 119' ' ' SER . 6.6 t -53.67 -32.77 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 120' ' ' SER . 2.0 t -56.86 -28.01 61.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.67 -44.45 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.04 -35.47 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -76.51 -57.58 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.91 -36.78 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LEU . 63.1 mt -72.61 -67.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' ILE . 36.6 mt -36.24 -47.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.38 -61.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 48.0 t80 -39.74 -45.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . 0.546 ' CD2' HG11 ' A' ' 68' ' ' VAL . 93.3 mt -49.8 -47.36 51.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -58.94 -47.46 84.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.4 mt . . . . . 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.934 179.973 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' HG3' ' A' ' 10' ' ' GLU . 43.0 mm . . . . . 0 C--O 1.231 0.126 0 CA-C-O 121.543 0.687 . . . . 0.0 111.149 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 97.83 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLU . . . . . 0.553 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.8 mt-10 -117.56 150.86 38.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -104.03 131.42 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -117.05 109.63 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -174.68 149.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 5.3 t-80 -101.9 114.68 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.431 HD11 ' CE3' ' A' ' 103' ' ' TRP . 7.5 mt -89.65 -174.75 4.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -81.97 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.86 132.45 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 6.4 t80 -142.08 131.65 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -134.88 83.45 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.2 Cg_endo . . . . . 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 26.9 m-85 . . . . . 0 C--O 1.231 0.123 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 . . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.09 156.36 45.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -92.56 94.37 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 64.9 m170 -118.3 151.05 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' TYR . 54.3 t-105 -82.78 145.59 29.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.7 t -136.26 144.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.22 120.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.5 t80 -95.18 127.87 41.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 22.4 tptt -110.57 157.45 19.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.1 mt-10 -32.77 -67.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 115' ' ' THR . 2.2 p -121.66 18.64 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -136.48 169.64 17.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LEU . . . . . 0.502 ' H ' HG22 ' A' ' 39' ' ' THR . 6.8 tt -153.68 138.67 17.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' SER . . . . . 0.467 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 p -148.79 142.44 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -133.37 148.36 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 1.3 m-85 -127.4 166.36 18.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -81.81 -33.0 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' ASP . 8.2 m -144.27 122.81 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -44.65 -22.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' SER . 39.9 m-20 -72.91 -40.04 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' GLU . . . . . 0.429 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -62.97 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -88.07 147.2 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.79 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.361 0.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.79 -98.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -148.35 117.83 4.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.731 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.71 144.86 55.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.38 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.69 -44.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -167.18 118.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -99.16 137.11 38.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -141.92 157.57 44.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -103.85 114.34 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 79' ' ' LEU . 70.5 mt -63.49 -9.33 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -71.89 100.38 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.32 21.95 9.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' CYS . . . . . 0.464 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.3 p -105.1 -175.07 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.99 149.25 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.6 t -138.49 125.54 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.8 106.59 20.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.53 38.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.52 34.47 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 74' ' ' LYS . 5.1 p -78.02 133.76 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -125.97 77.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.6 t -40.46 -28.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 t -49.79 -52.26 33.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.87 34.6 5.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 42.03 52.71 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.5 ttpt -126.69 137.53 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -138.83 123.39 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.6 t -136.92 162.11 34.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.08 106.02 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -79.15 107.14 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 59' ' ' LEU . 7.1 tp -99.16 129.94 45.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' LEU . . . . . 0.694 HD22 ' SD ' ' A' ' 87' ' ' MET . 18.0 mt -133.67 102.45 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 62' ' ' CYS . 96.4 t -109.21 133.68 20.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.2 Cg_endo -69.81 147.33 62.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -144.03 147.14 36.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -9.63 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -107.05 -28.08 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.32 -123.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' MET . . . . . 0.694 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.4 ttm -142.26 137.14 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -107.12 93.47 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -96.28 116.54 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.61 138.08 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -103.78 124.32 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.63 115.65 23.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -115.51 109.14 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.21 169.62 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -91.77 -39.23 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -143.17 163.95 31.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.31 -39.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.76 -61.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.6 -44.14 97.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -49.31 -61.59 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.35 -55.08 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -46.49 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 47.2 m95 -60.56 -64.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' TRP . 6.4 tpp -34.94 -67.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.98 -36.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 106' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -64.24 -55.43 23.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.5 m -53.52 -44.13 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -60.74 -51.8 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.8 mt -54.07 -43.04 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.48 -31.93 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -50.59 -29.3 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.23 -40.82 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.17 -7.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -74.3 149.87 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 115' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' THR . 52.7 p -114.65 149.04 37.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 116' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -46.67 -39.75 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.39 -39.05 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.4 129.04 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.1 p -47.92 -37.47 14.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -43.05 -27.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 121' ' ' TYR . . . . . 0.793 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.4 t80 -51.92 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -54.83 -28.15 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -58.47 -34.36 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.96 -45.2 20.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.23 -46.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -64.45 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.13 -43.01 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.83 -57.88 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.7 mt -39.18 -52.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -58.53 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -39.51 -54.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.6 mt -51.62 -47.48 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -56.87 -47.45 80.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.9 mt . . . . . 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.962 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.329 0 N-CA-C 112.477 -0.249 . . . . 0.0 112.477 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 17.8 m -91.65 115.71 28.28 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-O 120.893 0.378 . . . . 0.0 110.798 -179.717 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -158.3 134.12 9.05 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.843 -179.881 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.21 -109.28 2.82 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.515 179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 m -114.52 129.25 56.65 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.87 0.367 . . . . 0.0 110.842 -179.758 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 m -163.59 172.53 14.21 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.835 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -67.3 172.18 31.29 Favored Glycine 0 N--CA 1.45 -0.368 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.491 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.556 HG23 ' HD2' ' A' ' 9' ' ' PRO . 29.5 mt -61.13 136.15 93.74 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.62 0.724 . . . . 0.0 111.122 -179.939 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.556 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.3 Cg_endo -69.82 110.2 2.51 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.626 2.218 . . . . 0.0 112.356 179.925 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 28.9 mt-10 -129.24 146.56 51.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.878 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.415 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.12 143.28 31.42 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.885 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 25.7 mmtm -134.43 106.93 7.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.831 179.847 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -172.61 139.8 0.97 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.893 179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.431 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 17.6 t-80 -93.67 111.94 23.72 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.85 -179.964 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.3 mt -87.87 -174.9 4.93 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.93 -179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 43.6 mtt-85 -82.09 115.88 21.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.869 179.967 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 21.2 mt -121.97 124.36 71.14 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.106 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.56 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 46.4 t80 -134.12 132.71 40.22 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.88 179.928 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 73.2 mtm180 -134.27 88.75 29.68 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.611 0.72 . . . . 0.0 110.866 -179.916 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.56 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.3 Cg_endo -69.77 -16.04 37.33 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.674 2.249 . . . . 0.0 112.401 179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 23.8 mmm180 -96.95 36.86 1.36 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.889 179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 33.5 tptt -170.09 157.86 6.69 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 74.9 mt -50.73 116.75 2.09 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.892 179.97 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.446 ' C ' HD12 ' A' ' 25' ' ' LEU . 8.7 t -150.21 151.85 33.7 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.111 179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.446 HD12 ' C ' ' A' ' 24' ' ' THR . 6.1 mp -136.18 147.03 47.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.922 179.942 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER 57.16 40.18 28.37 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.912 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 58.5 -103.71 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.681 -0.771 . . . . 0.0 112.534 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 87.1 m-85 -81.87 153.24 26.47 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.908 0.385 . . . . 0.0 110.901 -179.811 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 27.7 tpt85 -131.58 129.85 41.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.079 -0.51 . . . . 0.0 110.891 179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.1 mt-30 -55.44 123.14 12.94 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.875 -179.924 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.476 ' CE1' ' HA ' ' A' ' 44' ' ' LYS . 2.4 m-70 -140.36 170.02 16.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.873 179.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.3 t-105 -109.92 121.62 45.66 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.934 -179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 20.5 t -117.72 150.3 19.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.11 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 69.2 t -146.85 124.15 3.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.459 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 22.8 t80 -97.31 125.91 42.2 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.888 -179.999 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.468 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.4 tptm -111.55 157.65 20.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.468 ' C ' ' O ' ' A' ' 36' ' ' LYS . 31.0 mt-10 -32.23 -68.68 0.09 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.88 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.694 HG23 HG22 ' A' ' 115' ' ' THR . 1.7 p -122.62 18.82 10.38 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.171 -179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.4 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -133.16 166.23 22.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.15 -179.977 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.594 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -158.75 129.64 6.19 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.941 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 59.6 m -148.39 148.38 30.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 -179.92 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.51 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.8 p90 -132.63 174.31 10.43 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.875 -179.852 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.945 ' CE2' ' HB2' ' A' ' 49' ' ' ALA . 0.1 OUTLIER -144.27 163.93 32.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.913 -179.907 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.618 ' HB3' HD11 ' A' ' 54' ' ' ILE . 22.0 ptmt -78.97 -34.54 44.16 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.914 179.884 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.478 ' O ' ' N ' ' A' ' 47' ' ' ASP . 35.6 t -153.38 132.55 12.66 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.845 -179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.44 ' C ' ' O ' ' A' ' 45' ' ' SER . 3.5 tt0 -34.27 -34.35 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.94 -179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.478 ' N ' ' O ' ' A' ' 45' ' ' SER . 30.3 m-20 -49.95 -59.89 3.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.842 179.946 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.406 ' C ' ' O ' ' A' ' 47' ' ' ASP . 9.9 mm-40 -37.88 -63.27 0.48 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.881 -179.876 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.945 ' HB2' ' CE2' ' A' ' 43' ' ' TYR . . . -71.31 162.19 74.12 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.509 0.671 . . . . 0.0 111.112 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.699 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -1.82 6.87 Favored 'Cis proline' 0 C--N 1.341 0.149 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.289 0.055 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.508 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.9 -87.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.337 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.475 -179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -157.42 134.67 6.81 Favored Pre-proline 0 C--N 1.328 -0.33 0 CA-C-O 121.657 0.741 . . . . 0.0 110.849 -179.98 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.527 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.72 166.34 27.88 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.695 2.263 . . . . 0.0 112.345 -179.969 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.618 HD11 ' HB3' ' A' ' 44' ' ' LYS . 29.2 mt -64.46 -38.15 81.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.139 179.917 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -165.3 111.18 0.92 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.932 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.7 pt20 -89.69 139.1 30.89 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.974 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.655 HD12 HG21 ' A' ' 81' ' ' VAL . 0.1 OUTLIER -140.28 147.21 39.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.913 -179.936 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 11.8 p-10 -88.95 101.31 13.95 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.863 179.919 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.594 HD11 HD12 ' A' ' 40' ' ' LEU . 40.5 mt -45.08 -45.07 10.85 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 8.0 tmtm? -51.04 92.32 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.889 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . 0.401 ' N ' ' O ' ' A' ' 59' ' ' LEU . . . 131.08 -34.17 2.67 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.675 -0.774 . . . . 0.0 112.457 179.932 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.722 ' HB2' HG22 ' A' ' 81' ' ' VAL . 14.1 p -59.67 174.98 0.39 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.815 0.341 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.541 ' CD ' HG23 ' A' ' 65' ' ' VAL . 0.0 OUTLIER -110.77 146.63 36.03 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.918 -179.883 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.743 HG22 HD12 ' A' ' 79' ' ' LEU . 46.8 t -132.78 110.43 15.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.967 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.541 HG23 ' CD ' ' A' ' 63' ' ' GLU . 55.1 t -108.69 120.68 45.49 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.584 0.707 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 126.74 13.66 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.66 2.24 . . . . 0.0 112.31 -179.995 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 82.6 m-20 -129.87 46.96 2.56 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.822 179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.483 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 1.9 m -94.57 144.59 9.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.166 179.958 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 5.3 m120 -134.17 90.69 2.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.406 ' O ' ' C ' ' A' ' 71' ' ' SER . 90.9 t -46.35 -32.25 1.57 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.118 179.89 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 70' ' ' VAL . 3.4 m -38.29 -38.34 0.35 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.836 -179.827 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -133.08 44.73 1.17 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.524 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.5 mp0 38.25 45.12 0.75 Allowed 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.925 -179.846 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 40.3 ttmt -109.4 146.33 34.62 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.896 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.5 m-85 -150.46 105.05 3.28 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.911 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -113.68 155.09 26.17 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.898 -179.939 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.523 HG23 ' HE1' ' A' ' 104' ' ' MET . 21.4 mt -133.42 110.96 15.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.127 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.678 ' HE3' HD13 ' A' ' 80' ' ' LEU . 13.3 tttt -88.34 107.15 18.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.878 179.851 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.743 HD12 HG22 ' A' ' 64' ' ' VAL . 11.4 tp -97.52 110.9 23.37 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.877 179.965 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.678 HD13 ' HE3' ' A' ' 78' ' ' LYS . 3.2 tp -102.33 116.26 32.27 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.9 179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.722 HG22 ' HB2' ' A' ' 62' ' ' CYS . 27.1 t -126.02 133.56 25.05 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.586 0.708 . . . . 0.0 111.187 179.824 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 140.84 43.6 Favored 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.653 2.235 . . . . 0.0 112.333 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.6 m -131.31 147.69 67.17 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.692 0.758 . . . . 0.0 110.878 -179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 -3.72 12.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.66 2.24 . . . . 0.0 112.358 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -115.57 -30.33 6.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.892 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -174.06 -92.91 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.52 -179.952 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.456 ' CE ' ' HG ' ' A' ' 80' ' ' LEU . 28.7 mmm -155.44 171.53 19.75 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.783 0.325 . . . . 0.0 110.892 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.8 m -134.76 73.55 1.49 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 -179.841 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 8.2 tt0 -94.24 111.22 22.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.895 -179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 4.5 mp -118.0 133.26 65.36 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.079 -179.977 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 22.8 m-85 -100.41 117.01 33.72 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.933 179.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 4.5 mt -116.24 115.87 26.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.888 179.963 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.5 tmt_? -109.64 129.23 55.61 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -97.24 148.76 22.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.906 -179.951 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.4 pt20 -69.18 -41.75 76.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.904 -179.909 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 4.0 p30 -134.11 -176.33 4.15 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.433 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -75.73 -28.47 58.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.9 -179.91 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.433 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 35.5 mm-40 -55.86 -62.97 1.34 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.936 179.983 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 44.5 tt0 -57.04 -33.73 67.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.927 -179.929 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.483 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 38.0 t80 -64.75 -64.73 0.8 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 -179.898 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -45.87 -43.24 13.45 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.099 -0.5 . . . . 0.0 111.089 179.855 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.0 mtt180 -60.33 -66.05 0.59 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.88 -179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.459 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 45.9 m95 -57.22 -65.67 0.58 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.933 -179.961 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.523 ' HE1' HG23 ' A' ' 77' ' ' ILE . 8.5 tpp -38.31 -63.82 0.46 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.896 179.912 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.38 -37.83 8.09 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.235 -0.438 . . . . 0.0 111.076 179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -66.51 -42.19 93.78 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.479 -179.914 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 66.8 m -61.22 -48.83 79.71 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.822 0.344 . . . . 0.0 110.869 -179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 46.2 mtp85 -57.36 -46.63 83.16 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.893 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.82 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.0 mt -57.52 -37.56 73.24 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.924 -179.931 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.68 -39.39 64.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.069 179.782 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 22.7 t -59.22 -40.58 86.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.859 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 35.6 mmtt -84.69 8.77 15.86 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.883 179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 92.33 -31.69 5.91 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.544 179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 85.2 mtt180 -56.86 174.31 0.17 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.913 0.387 . . . . 0.0 110.858 -179.889 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.694 HG22 HG23 ' A' ' 38' ' ' THR . 19.8 p -141.64 157.39 45.14 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.127 -179.88 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.585 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.1 ttp -53.58 -32.81 52.5 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.858 179.951 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.79 -36.1 15.89 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.062 179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -65.27 155.96 33.49 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.853 -179.999 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.8 m -69.49 -38.31 77.6 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.863 -179.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 25.5 m -41.75 -33.93 0.56 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.878 -179.812 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.82 ' HA ' HD11 ' A' ' 109' ' ' LEU . 22.7 t80 -38.91 -63.3 0.54 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.931 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 4.9 t -59.43 -31.91 69.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.141 -179.992 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.3 t -58.57 -24.49 60.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 22.1 mm-40 -87.01 -47.06 9.25 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.882 -179.937 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 99.7 t -52.39 -40.94 33.81 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.143 179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -68.79 -65.17 0.74 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.852 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -39.53 -40.21 0.82 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.056 179.965 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.439 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.1 mt -67.2 -66.11 0.53 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.13 179.966 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.439 ' C ' ' O ' ' A' ' 128' ' ' ILE . 23.7 mt -34.9 -45.81 0.28 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.925 179.904 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.41 -56.97 4.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.132 179.775 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.493 ' CE2' ' NE2' ' A' ' 135' ' ' GLN . 58.4 t80 -39.43 -50.91 2.13 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.848 -179.937 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 28.9 mt -51.84 -50.01 61.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.909 -179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 3.6 t -54.43 -41.88 69.9 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.928 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.456 HD12 ' HA ' ' A' ' 131' ' ' PHE . 29.0 mt -60.4 -46.54 89.64 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.952 179.985 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.493 ' NE2' ' CE2' ' A' ' 131' ' ' PHE . 42.6 mt-30 -43.96 -44.97 7.53 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 59.5 mtp180 -42.38 162.11 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.898 -179.95 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 94.4 m . . . . . 0 C--N 1.33 -0.253 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.123 -179.91 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.298 0 N-CA-C 112.529 -0.228 . . . . 0.0 112.529 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 9.3 p -168.7 162.5 11.75 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.896 0.379 . . . . 0.0 110.826 -179.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.5 m -161.36 159.09 27.9 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.885 -179.838 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -87.97 -151.94 23.07 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.465 179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 42.5 t -163.18 139.15 6.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.827 -179.739 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 74.9 m -89.13 128.4 35.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.803 -179.782 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 92.32 -156.18 23.27 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.486 179.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.622 HG23 ' HD2' ' A' ' 9' ' ' PRO . 75.1 mt -61.85 137.51 95.3 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.635 0.731 . . . . 0.0 111.157 -179.991 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.622 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.4 Cg_endo -69.76 96.51 0.59 Allowed 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.666 2.244 . . . . 0.0 112.312 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 82.7 mt-10 -120.33 137.7 54.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.885 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.484 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -105.25 140.3 38.6 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.7 mmmm -129.56 106.35 8.69 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.924 179.831 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.71 139.86 0.56 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.876 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.536 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.5 t-80 -96.16 111.9 23.8 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.823 -179.94 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.473 HD11 ' CD2' ' A' ' 103' ' ' TRP . 6.1 mt -87.84 -174.76 4.87 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.903 -179.97 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.577 ' HG2' ' CD1' ' A' ' 28' ' ' TYR . 23.4 ttt180 -82.07 115.73 21.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.849 179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.53 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 97.1 mt -120.37 142.16 37.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.135 179.994 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.591 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 1.9 t80 -159.69 134.7 8.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.923 179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 47.9 mtp85 -127.92 112.73 20.35 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.605 0.717 . . . . 0.0 110.9 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.81 -30.14 22.53 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.713 2.275 . . . . 0.0 112.304 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 2.9 tmt_? -50.98 -62.49 1.58 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.863 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.3 mmpt? -58.86 120.01 8.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.911 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 2.9 tt -67.67 74.0 0.17 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.272 -0.422 . . . . 0.0 110.897 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 39.0 p -125.6 115.76 20.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.142 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mp -45.82 -45.8 15.13 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.897 179.934 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 25.9 mttp -108.86 105.61 15.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.868 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -81.38 -66.76 1.58 Allowed Glycine 0 N--CA 1.45 -0.371 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.512 179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 91.7 m-85 -56.49 125.23 21.16 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.895 0.378 . . . . 0.0 110.906 -179.82 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.409 ' CG ' ' N ' ' A' ' 30' ' ' GLN . 45.2 ttt180 -144.83 168.95 19.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.86 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.409 ' N ' ' CG ' ' A' ' 29' ' ' ARG . 39.1 tt0 -75.11 97.55 3.47 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.914 -179.961 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.536 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.9 m170 -122.01 168.93 11.35 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.852 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 49.4 t-105 -115.27 122.54 46.25 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.917 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 74.0 t -114.36 144.32 22.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.135 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -137.28 121.87 23.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.146 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.484 ' HD2' HD12 ' A' ' 11' ' ' LEU . 19.1 t80 -95.44 129.38 42.62 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.967 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.456 ' O ' ' C ' ' A' ' 37' ' ' GLU . 35.7 tptt -115.71 157.3 24.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.919 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.456 ' C ' ' O ' ' A' ' 36' ' ' LYS . 21.1 mt-10 -33.13 -71.02 0.06 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.927 179.986 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . . . . . . . . . 0.7 OUTLIER -118.37 19.37 13.43 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.139 -179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.554 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.9 OUTLIER -137.16 171.48 14.44 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.168 179.988 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.554 ' H ' HG22 ' A' ' 39' ' ' THR . 3.6 tt -161.0 134.2 6.49 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.935 179.971 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 21.5 m -139.05 165.03 28.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.858 -179.947 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 15.0 p90 -158.56 156.63 30.49 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.934 -179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.534 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.2 OUTLIER -136.45 168.45 19.44 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.916 -179.89 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.478 ' N ' HD11 ' A' ' 54' ' ' ILE . 0.1 OUTLIER -83.54 -22.46 32.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.92 179.874 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.445 ' HB2' ' CG ' ' A' ' 48' ' ' GLU . 7.6 m -143.02 130.58 21.23 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.871 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 14.0 tm0? -55.17 -46.1 75.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.929 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 67.6 m-20 -55.22 -44.82 75.79 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.841 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.445 ' CG ' ' HB2' ' A' ' 45' ' ' SER . 55.5 mm-40 -51.18 -50.03 59.79 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.866 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.534 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -66.66 155.19 89.81 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.569 0.7 . . . . 0.0 111.114 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.527 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.77 -49.44 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.697 -1.793 . . . . 0.0 112.383 0.025 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.435 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.11 -98.67 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.691 -0.766 . . . . 0.0 112.513 179.936 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.2 t70 -139.01 121.94 10.65 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.545 0.688 . . . . 0.0 110.878 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.73 131.21 20.82 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.68 2.253 . . . . 0.0 112.371 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.478 HD11 ' N ' ' A' ' 44' ' ' LYS . 73.0 mt -43.39 -51.29 1.27 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.159 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 5.9 mt-30 -159.11 118.87 3.06 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.953 179.914 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.1 pp0? -86.58 134.33 33.65 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.897 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 1.7 mp -131.86 124.43 29.53 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.871 179.981 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.433 ' O ' ' N ' ' A' ' 60' ' ' LYS . 55.1 t30 -83.0 94.12 7.7 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.889 179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.427 HD11 HD12 ' A' ' 40' ' ' LEU . 17.9 mt -36.4 -33.14 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.875 179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.433 ' N ' ' O ' ' A' ' 58' ' ' ASN . 18.7 tttm -62.17 117.37 5.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.902 179.83 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.33 -23.54 35.49 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.473 179.92 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 5.2 m -67.48 -176.75 0.64 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.769 0.319 . . . . 0.0 110.894 -179.889 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 29.5 tt0 -118.48 135.76 54.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.869 -179.891 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 7.1 p -135.83 132.02 50.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.168 179.944 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.553 HG13 ' HD2' ' A' ' 66' ' ' PRO . 71.9 t -137.55 135.9 19.73 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.622 0.725 . . . . 0.0 111.122 179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.553 ' HD2' HG13 ' A' ' 65' ' ' VAL . 54.2 Cg_endo -69.73 112.8 3.17 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.701 2.267 . . . . 0.0 112.357 179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -113.35 34.4 4.54 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.863 179.903 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.707 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 27.4 m -87.63 145.48 7.47 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.156 179.992 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.0 t30 -133.06 98.44 4.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.864 -179.988 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.8 t -60.65 -41.93 89.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.087 179.927 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 0.9 OUTLIER -50.78 -29.15 10.83 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.87 -179.823 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -117.05 25.66 8.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.474 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 8.2 mm-40 42.09 37.12 0.79 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.834 0.35 . . . . 0.0 110.884 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.418 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 20.4 ttmm -113.59 149.73 34.09 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.907 179.931 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 13.8 m-85 -147.81 114.07 5.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.891 179.949 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 13.3 t -134.53 151.55 51.19 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.413 HG22 ' CD1' ' A' ' 79' ' ' LEU . 42.1 mt -121.11 109.29 24.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.108 -179.974 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.423 ' CG ' HD23 ' A' ' 80' ' ' LEU . 40.0 tttt -69.59 117.76 11.61 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.915 179.841 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.413 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -115.36 112.26 22.09 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.915 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.423 HD23 ' CG ' ' A' ' 78' ' ' LYS . 4.0 mm? -119.1 111.2 17.98 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.951 179.838 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.417 ' HA ' ' HD2' ' A' ' 82' ' ' PRO . 22.0 t -109.54 109.91 59.86 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.63 0.729 . . . . 0.0 111.111 179.882 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.6 Cg_endo -69.73 133.15 24.94 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.713 2.275 . . . . 0.0 112.355 179.924 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 28.0 m -146.95 153.67 46.01 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.652 0.739 . . . . 0.0 110.832 -179.855 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.68 -15.74 37.52 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.704 2.269 . . . . 0.0 112.361 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 11.7 pt-20 -79.57 -24.46 42.06 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.912 -179.983 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.9 -100.04 0.19 Allowed Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.499 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.41 124.56 1.72 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.772 0.32 . . . . 0.0 110.845 -179.984 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 62.5 m -99.91 106.31 18.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.884 -179.851 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.3 mt-10 -96.78 122.64 39.95 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.876 -179.961 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 77.4 mt -132.37 122.53 48.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.17 179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 78.7 m-85 -111.0 120.58 42.85 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.912 -179.969 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 22.4 mt -113.8 114.34 26.17 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.933 179.949 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.7 tmt_? -111.86 123.84 51.1 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.865 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.2 m -95.3 170.33 9.45 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.906 -179.943 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 52.0 tt0 -81.11 -59.11 2.77 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.906 -179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 24.1 t0 -117.88 178.61 4.35 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.907 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.546 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 14.3 pt-20 -73.8 -33.11 64.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.922 -179.938 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 27.5 mm-40 -49.21 -49.92 40.72 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.899 -179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -73.64 -45.73 50.98 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.877 -179.902 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.707 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 5.5 t80 -49.99 -46.03 52.26 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.971 -179.883 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -59.86 -48.85 80.01 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.099 179.833 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 66.8 mtt-85 -51.63 -66.38 0.39 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.483 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 49.5 m95 -57.82 -46.51 84.6 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.926 -179.93 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 8.7 tpp -46.08 -70.64 0.09 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.835 179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.89 -36.41 3.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.099 179.896 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.99 -47.08 89.18 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.486 -179.967 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 74.5 m -62.55 -46.82 86.63 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.861 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 47.1 mtp85 -61.48 -53.08 61.09 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.866 -179.863 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.656 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.1 mt -47.88 -36.18 11.7 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.924 -179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -79.81 -40.93 27.51 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.09 179.785 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 7.2 t -43.47 -41.86 4.55 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.892 -179.82 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 46.9 mmtm -92.72 -24.58 18.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.864 179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 131.56 -31.9 3.03 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.512 179.938 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.479 ' N ' ' O ' ' A' ' 109' ' ' LEU . 38.1 mtt85 -48.59 155.4 0.55 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.926 0.393 . . . . 0.0 110.853 -179.863 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . . . . . . . . . 66.5 p -120.54 155.9 32.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.147 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.532 ' HG2' ' CG ' ' A' ' 121' ' ' TYR . 7.3 ttm -55.68 -38.84 70.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.891 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.402 ' CA ' ' HG3' ' A' ' 9' ' ' PRO . . . -41.96 -44.27 3.41 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.895 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.3 t70 -55.18 139.04 43.33 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.921 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 6.8 m -58.66 -28.41 65.68 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.91 -179.772 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 39.1 m -57.12 -21.41 32.15 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.892 -179.844 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.656 ' HA ' HD11 ' A' ' 109' ' ' LEU . 7.2 t80 -50.15 -47.11 54.42 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.941 -179.878 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -71.49 -37.39 71.27 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.109 -0.496 . . . . 0.0 111.167 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 9.9 m -50.84 -38.48 49.21 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.9 -179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.2 mp0 -73.19 -35.39 66.36 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.523 ' HA ' HD12 ' A' ' 128' ' ' ILE . 83.3 t -62.67 -41.87 93.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.097 -0.501 . . . . 0.0 111.144 179.959 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.7 mm-40 -64.56 -60.68 2.85 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.44 -41.48 4.29 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.13 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.523 HD12 ' HA ' ' A' ' 125' ' ' VAL . 48.2 mt -57.81 -67.6 0.25 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.101 179.99 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 6.0 mp -43.65 -37.66 2.7 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.906 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.4 -54.14 19.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.797 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.436 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 39.4 t80 -54.58 -46.82 73.81 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.861 -179.902 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 92.3 mt -52.31 -42.82 64.11 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.882 -179.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -61.74 -37.95 86.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.797 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 73.8 mt -59.53 -41.63 90.45 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.933 -179.994 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.436 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 19.4 mm-40 -50.58 -42.54 55.78 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.903 179.922 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.9 ptm180 -101.46 154.6 18.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.864 -179.946 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.5 t . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.145 -179.964 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.458 -0.257 . . . . 0.0 112.458 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.0 t -64.27 122.07 15.77 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.836 0.35 . . . . 0.0 110.854 -179.742 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.3 m -68.28 175.27 3.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.852 -179.838 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -114.34 -146.69 9.31 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.503 -179.976 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 30.6 p -151.73 119.57 6.17 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.862 0.363 . . . . 0.0 110.859 -179.74 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 61.5 m -67.69 134.14 50.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.858 -179.822 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 69.04 -155.26 53.57 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.509 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.577 HG23 ' HD2' ' A' ' 9' ' ' PRO . 23.2 mt -44.98 135.85 4.86 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.657 0.741 . . . . 0.0 111.147 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.577 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.73 109.82 2.4 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.659 2.24 . . . . 0.0 112.361 179.897 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 52.4 mt-10 -132.15 141.04 48.98 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.933 -179.998 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -101.03 140.28 35.55 Favored 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.956 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.421 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.7 OUTLIER -128.77 105.32 8.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.888 179.854 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.421 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.7 m-20 -175.7 154.47 1.57 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 179.848 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.606 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.2 t-80 -108.38 112.73 25.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.855 -179.985 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.401 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.0 mt -88.0 -174.71 4.81 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.936 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -81.87 117.51 22.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.892 179.946 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . 0.432 ' O ' ' CD1' ' A' ' 28' ' ' TYR . 48.3 mt -119.79 134.8 62.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.116 -179.989 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 36.0 t80 -141.45 135.66 30.53 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.892 179.944 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.9 mtp180 -131.31 87.54 47.05 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.596 0.712 . . . . 0.0 110.913 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.563 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 54.2 Cg_endo -69.74 -15.47 37.18 Favored 'Trans proline' 0 C--O 1.231 0.156 0 C-N-CA 122.684 2.256 . . . . 0.0 112.389 179.998 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.411 ' C ' ' HD2' ' A' ' 21' ' ' ARG . 5.7 tmm_? -79.09 120.89 24.29 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 -179.947 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER 47.36 45.84 16.93 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.951 -179.981 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 7.6 tp -55.59 139.83 42.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.908 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 4.6 t -116.54 -32.95 5.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.089 179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.4 ' O ' ' C ' ' A' ' 26' ' ' LYS . 56.5 mt -137.58 174.6 10.41 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.911 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 25' ' ' LEU . 31.9 tttp -37.17 136.6 0.42 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.904 179.844 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -42.46 -94.09 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.472 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.581 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 94.7 m-85 -74.65 137.3 42.11 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.84 0.352 . . . . 0.0 110.917 -179.775 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 24.0 mtt-85 -143.53 173.11 11.93 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.879 180.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 28.7 tt0 -77.72 90.37 4.01 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.918 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.606 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 13.6 m170 -114.33 170.43 8.3 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.872 -180.0 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.4 t-105 -117.5 140.24 49.87 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.951 -179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.7 t -135.65 151.45 29.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.279 -0.419 . . . . 0.0 111.116 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.0 t -148.18 124.73 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.092 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.594 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 37.5 t80 -95.42 136.45 35.77 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.847 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.47 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.8 tptm -118.79 157.53 27.38 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.919 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 26.6 mt-10 -32.13 -71.68 0.05 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.994 0.426 . . . . 0.0 110.885 -179.988 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.698 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -119.28 22.67 11.68 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.163 -179.911 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.401 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.5 OUTLIER -139.1 166.02 25.61 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.17 -179.974 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.401 ' H ' HG22 ' A' ' 39' ' ' THR . 5.4 tt -153.76 128.22 9.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.878 -179.997 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 45.3 m -139.8 147.1 40.28 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.863 -179.937 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.512 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 6.0 p90 -135.33 175.38 9.64 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.942 -179.894 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.64 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.0 OUTLIER -147.5 147.21 29.92 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.933 -179.952 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.779 ' N ' HD11 ' A' ' 54' ' ' ILE . 34.3 ttmt -54.96 -26.85 39.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.087 -0.506 . . . . 0.0 110.912 179.905 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.504 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.6 m -168.71 135.91 1.95 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.833 -179.857 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.454 ' C ' ' O ' ' A' ' 45' ' ' SER . 6.7 tm0? -34.09 -33.25 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.909 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.504 ' N ' ' O ' ' A' ' 45' ' ' SER . 9.1 m-20 -51.23 -53.34 36.19 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.903 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.419 ' C ' ' O ' ' A' ' 47' ' ' ASP . 7.5 mm-40 -36.3 -60.44 0.57 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.848 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -74.84 167.04 40.18 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.59 0.71 . . . . 0.0 111.095 179.955 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.848 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.74 -2.12 6.96 Favored 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.692 -1.795 . . . . 0.0 112.366 -0.044 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.505 ' N ' ' HA ' ' A' ' 49' ' ' ALA . . . -30.19 -88.77 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.503 179.935 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 15.7 m-20 -159.42 140.06 9.05 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.591 0.71 . . . . 0.0 110.849 -179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.537 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.4 Cg_endo -69.78 148.39 64.84 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.692 2.261 . . . . 0.0 112.319 -179.948 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.779 HD11 ' N ' ' A' ' 44' ' ' LYS . 69.0 mt -51.66 -43.4 32.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.107 179.915 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -160.75 133.74 6.46 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.901 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -111.06 127.91 55.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.896 -179.922 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.564 HD12 ' N ' ' A' ' 57' ' ' LEU . 2.1 mp -133.1 168.97 17.55 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.952 179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.8 m120 -110.25 102.56 11.22 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.885 179.894 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 63.5 mt -40.9 -32.49 0.23 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.917 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 27.4 tttp -53.05 115.56 1.93 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.857 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 97.67 -1.69 60.08 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.686 -0.769 . . . . 0.0 112.5 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.408 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.4 p -78.28 175.53 10.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.76 0.314 . . . . 0.0 110.879 -179.826 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.3 tt0 -109.86 126.31 53.7 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.871 -179.847 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 87.3 t -104.42 111.46 34.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.404 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 41.2 t -122.29 100.24 42.29 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.637 0.732 . . . . 0.0 111.157 179.89 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.9 Cg_endo -69.77 124.19 10.84 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.714 2.276 . . . . 0.0 112.317 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -122.15 37.89 4.27 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 179.898 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG23 ' HA ' ' A' ' 75' ' ' PHE . 3.5 p -87.92 127.6 40.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 26.4 t30 -121.39 77.84 1.37 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.953 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 59.3 t -40.58 -32.97 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.153 179.921 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.6 p -42.53 -45.3 4.46 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.88 -179.869 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -110.71 14.04 29.66 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.462 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 1.6 mp0 59.37 48.2 10.33 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.892 0.377 . . . . 0.0 110.945 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 14.4 ttmm -123.96 107.97 11.91 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.856 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.579 ' CE2' ' HB3' ' A' ' 97' ' ' GLU . 3.1 m-85 -104.73 115.34 30.16 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.85 179.949 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.2 t -127.92 162.32 27.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.881 -179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 26.2 mt -145.5 105.31 0.7 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.154 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.445 ' CE ' HD13 ' A' ' 80' ' ' LEU . 50.5 tttt -76.11 118.67 19.11 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.92 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.2 mp -103.18 108.75 20.08 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.924 179.928 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.546 ' HG ' ' HE2' ' A' ' 87' ' ' MET . 5.8 tp -115.74 115.47 26.38 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.961 179.873 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG22 ' CB ' ' A' ' 62' ' ' CYS . 93.3 t -124.73 118.11 26.0 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.626 0.727 . . . . 0.0 111.12 179.855 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.408 ' HA ' ' CB ' ' A' ' 87' ' ' MET . 53.8 Cg_endo -69.79 138.91 38.84 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.683 2.255 . . . . 0.0 112.333 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.437 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 3.8 m -130.47 148.07 68.48 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.652 0.739 . . . . 0.0 110.848 -179.835 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.25 13.67 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.661 2.241 . . . . 0.0 112.371 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 52.0 mt-10 -127.91 -31.95 2.36 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.883 -179.981 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.437 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 175.44 95.01 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.466 -179.967 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.546 ' HE2' ' HG ' ' A' ' 80' ' ' LEU . 22.5 ptm -41.94 164.28 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.76 0.314 . . . . 0.0 110.888 -179.979 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 12.7 m -124.44 139.92 53.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.765 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.405 ' OE1' ' CD1' ' A' ' 80' ' ' LEU . 38.4 tt0 -129.15 111.33 12.82 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.855 -179.927 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -114.62 149.31 16.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.156 179.946 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 28.7 m-85 -115.9 127.23 54.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.973 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.7 mt -117.76 125.22 50.22 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.894 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.0 ttp85 -119.1 105.88 11.84 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.817 179.994 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 98.8 m -78.74 161.39 26.89 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.873 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 8.6 pt20 -89.82 -40.37 12.5 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.901 -179.864 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 33.9 t70 -131.83 164.43 26.06 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.852 179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.579 ' HB3' ' CE2' ' A' ' 75' ' ' PHE . 15.8 pt-20 -60.85 -32.64 72.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 12.8 mm-40 -51.66 -63.06 1.26 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.925 -179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 8.9 tp60 -58.23 -40.06 80.7 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.904 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 12.8 t80 -51.64 -59.26 4.48 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.907 -179.859 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.504 ' HB1' ' HA ' ' A' ' 125' ' ' VAL . . . -54.79 -59.32 4.89 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.106 179.891 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 92.5 mtt180 -38.93 -63.68 0.51 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.919 -179.942 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.594 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.3 m95 -63.75 -63.12 1.25 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.908 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.402 ' C ' ' O ' ' A' ' 103' ' ' TRP . 9.1 tpp -38.17 -66.04 0.29 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.903 179.95 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.67 -40.12 1.86 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.401 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -63.82 -48.26 78.35 Favored Glycine 0 N--CA 1.45 -0.386 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.524 -179.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 79.6 m -59.5 -41.28 89.5 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.823 0.344 . . . . 0.0 110.874 -179.879 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 51.6 mtp180 -65.73 -36.31 83.22 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.834 -179.853 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.401 HD12 ' HA2' ' A' ' 106' ' ' GLY . 16.0 mt -68.7 -48.9 62.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.41 -32.66 74.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.114 179.782 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.1 t -47.22 -48.3 24.23 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.858 -179.796 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 61.6 mmtt -89.25 -18.33 27.25 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.906 179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.43 ' O ' ' CG2' ' A' ' 38' ' ' THR . . . 127.35 -29.57 4.26 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.442 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 55.5 mtt85 -53.49 162.45 0.8 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.873 0.368 . . . . 0.0 110.874 -179.824 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.698 HG22 HG23 ' A' ' 38' ' ' THR . 17.5 p -139.21 158.67 43.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.151 -179.871 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.8 mtm -47.46 -32.66 5.33 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.88 179.924 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.42 -34.05 2.91 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.08 179.926 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 23.0 t0 -71.88 127.2 31.82 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.891 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 122' ' ' THR . 43.9 t -48.53 -29.54 4.31 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.829 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 71.9 p -51.17 -32.27 22.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.832 -179.805 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 45.0 t80 -39.51 -69.57 0.12 Allowed 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.924 -179.876 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.428 HG22 ' O ' ' A' ' 119' ' ' SER . 6.0 t -48.67 -33.53 10.19 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 111.14 179.978 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.2 t -56.01 -32.29 63.85 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.852 -179.82 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 2.0 mp0 -80.35 -52.85 7.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.911 -179.993 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.504 ' HA ' ' HB1' ' A' ' 101' ' ' ALA . 57.7 t -46.77 -38.14 3.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.165 179.957 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.4 mm-40 -74.6 -64.52 1.02 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.912 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -41.3 -40.08 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.077 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.428 ' O ' ' C ' ' A' ' 129' ' ' LEU . 56.2 mt -64.75 -64.9 0.61 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.135 179.951 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.428 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.4 mt -36.07 -45.14 0.41 Allowed 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.925 179.928 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -73.41 -57.63 3.87 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.14 179.729 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 85.8 t80 -39.93 -53.57 2.31 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.954 -179.952 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.456 HD13 ' HE2' ' A' ' 75' ' ' PHE . 91.8 mt -51.96 -44.56 64.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.893 179.987 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.6 t -56.1 -42.73 77.26 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.855 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 49.6 mt -57.34 -28.35 63.03 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.893 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 29.6 mt-30 -65.76 -35.55 81.04 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.901 179.955 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.466 ' NE ' ' HA ' ' A' ' 136' ' ' ARG . 0.1 OUTLIER -51.7 -175.38 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.877 -179.932 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 36.2 m . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 -179.922 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.322 0 N-CA-C 112.526 -0.23 . . . . 0.0 112.526 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.9 p -42.21 -60.53 1.43 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.901 0.382 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.8 t -46.3 135.66 7.82 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.833 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -113.08 179.09 19.01 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 7.3 t -116.36 36.75 3.97 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.857 0.361 . . . . 0.0 110.844 -179.74 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.8 t -126.42 151.24 47.97 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.886 -179.843 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -46.17 169.59 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.452 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 12.6 mt -43.72 130.7 3.99 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.614 0.721 . . . . 0.0 111.135 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 121.6 8.29 Favored 'Trans proline' 0 C--N 1.341 0.145 0 C-N-CA 122.71 2.274 . . . . 0.0 112.351 179.861 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 22.1 mt-10 -136.71 137.3 39.8 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.865 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -93.5 132.12 38.07 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.892 -179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.471 ' HB3' ' CH2' ' A' ' 32' ' ' TRP . 30.0 mmtm -120.6 107.16 12.49 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.938 179.794 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 15.9 m-20 -171.94 138.88 1.08 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.864 179.888 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.55 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 5.6 t-80 -100.22 114.4 27.81 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 4.8 mt -87.99 -174.9 4.9 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.888 -179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 25.5 mtm180 -81.97 115.67 21.24 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.871 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 73.0 mt -117.71 131.33 70.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.141 179.971 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.529 ' CE2' ' HD3' ' A' ' 20' ' ' PRO . 44.0 t80 -148.53 132.92 17.56 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.849 179.987 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.8 mtp180 -131.64 95.04 24.16 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.609 0.719 . . . . 0.0 110.885 -179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.529 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.78 -18.24 37.01 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.691 2.26 . . . . 0.0 112.315 -179.956 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.424 ' HB3' ' NH1' ' A' ' 21' ' ' ARG . 9.3 mtp-105 -85.29 46.3 1.27 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.862 -179.943 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.3 tppp? -158.98 144.27 16.15 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 5.9 mp -76.56 88.41 3.28 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.884 179.974 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 15.2 t -166.23 145.32 5.87 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.172 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.5 tp -40.8 109.82 0.13 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.919 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 10.6 ptpp? -51.7 154.35 2.03 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.906 179.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 122.15 -171.26 15.25 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.455 179.901 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 49.7 m-85 -112.01 153.18 27.22 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.814 0.34 . . . . 0.0 110.939 -179.81 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.7 ttt180 -125.18 167.98 14.08 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.988 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 27.8 tt0 -86.2 87.44 7.42 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.948 -179.964 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.55 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 25.8 m170 -107.84 169.63 8.49 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.922 179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.516 ' CG ' ' HG3' ' A' ' 46' ' ' GLN . 64.6 t-105 -115.86 121.53 42.65 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.897 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 7.2 t -112.68 142.23 25.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.148 179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 91.9 t -135.6 121.18 29.8 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.092 179.898 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.576 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.5 t80 -95.19 128.12 41.78 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.93 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.465 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.9 OUTLIER -112.89 157.43 21.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.868 179.972 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.465 ' C ' ' O ' ' A' ' 36' ' ' LYS . 4.8 mm-40 -32.49 -72.86 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.867 -179.981 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.806 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.75 23.17 11.87 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.186 -179.939 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.597 HG22 ' H ' ' A' ' 40' ' ' LEU . 4.2 m -140.03 169.53 17.53 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.122 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.63 HD23 ' N ' ' A' ' 41' ' ' SER . 6.0 tt -156.46 139.74 15.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.63 ' N ' HD23 ' A' ' 40' ' ' LEU . 1.4 p -145.55 160.49 41.56 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.89 -179.942 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 0.9 OUTLIER -148.9 153.49 38.09 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.902 -179.893 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.505 ' CE2' ' HA ' ' A' ' 53' ' ' PRO . 2.9 m-85 -134.96 168.66 18.7 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.945 -179.938 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.755 ' HG3' HD11 ' A' ' 54' ' ' ILE . 50.2 mtpt -85.78 -37.35 19.37 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.903 179.9 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 41.4 t -139.29 122.56 17.03 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.861 -179.857 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.516 ' HG3' ' CG ' ' A' ' 32' ' ' TRP . 5.8 mp0 -42.46 -26.25 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.897 -179.949 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 11.5 m-20 -67.02 -42.35 85.06 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.893 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.413 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.5 pt-20 -63.1 -18.69 63.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.915 -179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -96.16 149.18 35.61 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 111.086 179.932 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.76 -48.49 0.27 Allowed 'Cis proline' 0 C--N 1.342 0.189 0 C-N-CA 122.707 -1.789 . . . . 0.0 112.323 0.037 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.439 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.01 -98.97 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 -179.974 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -146.13 122.67 5.84 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.611 0.72 . . . . 0.0 110.844 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.505 ' HA ' ' CE2' ' A' ' 43' ' ' TYR . 53.5 Cg_endo -69.77 145.82 58.25 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.658 2.239 . . . . 0.0 112.312 -179.961 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.755 HD11 ' HG3' ' A' ' 44' ' ' LYS . 65.0 mt -47.9 -45.05 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.144 179.886 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.493 ' NE2' HD21 ' A' ' 57' ' ' LEU . 0.0 OUTLIER -173.87 105.01 0.12 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.921 179.952 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.647 ' O ' HD23 ' A' ' 57' ' ' LEU . 15.4 pt20 -67.0 145.59 55.25 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.918 -179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.647 HD23 ' O ' ' A' ' 56' ' ' GLN . 30.2 mt -128.44 157.88 39.88 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.913 -179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 61.3 t30 -116.64 93.84 4.37 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 179.876 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.743 HD13 ' HB3' ' A' ' 110' ' ' ALA . 11.9 mt -37.46 -42.63 0.52 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.916 179.931 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 11.0 mmmt -56.51 105.55 0.21 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.865 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.79 -19.89 12.11 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.508 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.717 ' SG ' HG22 ' A' ' 81' ' ' VAL . 4.1 m -76.89 -176.07 3.76 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.777 0.322 . . . . 0.0 110.871 -179.889 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -123.21 157.96 31.88 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.921 -179.91 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -128.11 124.39 62.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.137 179.994 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 17.4 t -134.95 94.92 15.77 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.652 0.739 . . . . 0.0 111.097 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.8 126.68 13.56 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.701 2.268 . . . . 0.0 112.336 179.944 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 10.9 t70 -103.02 15.19 30.07 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.419 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 65.2 t -48.16 124.47 1.95 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.118 -179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.417 ' O ' ' C ' ' A' ' 70' ' ' VAL . 35.3 m-20 -126.18 72.34 1.3 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.919 179.955 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 69' ' ' ASN . 90.0 t -36.06 -38.28 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.118 179.894 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.1 t -38.89 -52.0 1.76 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.867 -179.834 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.407 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.75 43.29 1.68 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.512 179.993 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.407 ' C ' ' O ' ' A' ' 72' ' ' GLY . 58.8 mm-40 36.9 54.55 1.18 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.919 0.39 . . . . 0.0 110.921 -179.832 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.5 ttpt -114.18 132.6 56.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.861 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 52.6 m-85 -135.54 112.75 10.48 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.873 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.6 t -132.3 156.03 47.28 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.088 -0.506 . . . . 0.0 110.868 -179.955 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 29.3 mt -127.39 99.2 5.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.096 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.833 ' HE3' HD21 ' A' ' 80' ' ' LEU . 30.2 tttp -71.89 122.5 20.88 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.879 179.842 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.7 mp -111.34 109.77 19.92 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.951 179.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.833 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.3 mm? -112.04 109.24 18.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.938 179.878 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.717 HG22 ' SG ' ' A' ' 62' ' ' CYS . 44.7 t -116.5 121.26 33.49 Favored Pre-proline 0 C--N 1.33 -0.265 0 CA-C-O 121.641 0.734 . . . . 0.0 111.135 179.841 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 140.21 41.91 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.685 2.257 . . . . 0.0 112.314 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.3 m -150.36 153.37 34.63 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.632 0.73 . . . . 0.0 110.847 -179.839 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 -2.35 10.02 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.674 2.249 . . . . 0.0 112.342 179.983 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -90.59 -44.96 9.2 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.885 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 174.79 -79.46 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.535 -179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.404 ' HE3' ' O ' ' A' ' 81' ' ' VAL . 8.9 tpt -172.44 129.17 0.55 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.775 0.321 . . . . 0.0 110.9 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 5.2 m -107.21 94.99 5.4 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.866 -179.791 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 42.2 tt0 -102.02 116.06 31.89 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.889 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 78.8 mt -116.6 138.33 47.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.074 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 25.2 m-85 -108.37 125.15 51.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.921 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 45.6 mt -123.94 114.19 19.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.952 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -109.26 127.17 54.05 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.976 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 53.0 m -95.09 167.9 11.09 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -85.89 -51.62 6.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.931 -179.897 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 6.5 m-20 -127.86 157.84 39.39 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.8 pt-20 -57.15 -28.95 63.19 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.871 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -55.94 -49.31 73.86 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.908 -179.916 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.7 tp60 -73.1 -41.51 63.97 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.918 179.996 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.419 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 3.5 t80 -53.42 -49.56 67.08 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 -179.827 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -56.12 -49.78 72.93 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.105 179.855 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 46.0 mtt85 -50.55 -63.61 1.07 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 -179.887 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.576 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 50.5 m95 -60.91 -62.15 2.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.902 -179.991 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.426 ' C ' ' O ' ' A' ' 103' ' ' TRP . 20.3 tpp -36.29 -68.96 0.12 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.851 179.96 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.96 -41.76 3.49 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.13 179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -55.25 -52.69 45.65 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.465 -179.958 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 90.6 m -59.83 -43.61 94.48 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.787 0.327 . . . . 0.0 110.828 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 40.2 mtp180 -60.22 -36.62 78.12 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.861 -179.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.887 HD11 ' HA ' ' A' ' 121' ' ' TYR . 19.6 mt -67.31 -41.37 85.43 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.882 -179.939 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.743 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -75.14 -24.64 58.0 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.107 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.3 t -56.85 -39.77 74.89 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.84 -179.826 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 25.8 mmtp -103.59 -2.26 26.96 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.889 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 118.69 -45.62 1.24 Allowed Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.483 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.2 mtt180 -40.43 153.35 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.852 0.358 . . . . 0.0 110.91 -179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.806 HG22 HG23 ' A' ' 38' ' ' THR . 24.8 p -130.43 166.95 19.4 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.156 -179.908 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 6.8 ttm -56.45 -34.02 66.45 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.915 179.852 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -51.88 -35.88 46.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.071 179.914 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.6 t70 -65.61 150.6 48.17 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.855 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 3.2 m -69.28 -23.67 63.86 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.861 -179.782 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 3.7 t -60.39 -21.97 62.79 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.869 -179.808 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.887 ' HA ' HD11 ' A' ' 109' ' ' LEU . 14.6 t80 -50.69 -57.33 8.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.887 -179.874 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.4 t -65.0 -36.35 84.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.107 -0.497 . . . . 0.0 111.159 -179.98 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.9 m -51.31 -35.35 37.41 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.874 -179.858 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -75.34 -48.4 23.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.851 -179.945 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.479 ' O ' HD13 ' A' ' 129' ' ' LEU . 93.5 t -49.66 -39.92 14.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.102 179.984 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.4 mm-40 -70.72 -56.08 7.22 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.897 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.3 -39.39 30.96 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.107 179.952 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.3 mt -61.7 -66.32 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.479 HD13 ' O ' ' A' ' 125' ' ' VAL . 6.7 mp -38.35 -41.4 0.63 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.899 179.866 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.408 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.38 -65.47 0.71 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.077 179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.408 ' C ' ' O ' ' A' ' 130' ' ' ALA . 57.4 t80 -37.48 -47.97 0.93 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.91 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.412 ' CD2' HG11 ' A' ' 68' ' ' VAL . 31.9 mt -55.35 -48.56 74.04 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 180.0 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.69 -39.13 73.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.887 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.407 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt -58.24 -41.43 84.13 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.969 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.402 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 21.5 mm-40 -51.2 -54.15 28.27 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.879 179.954 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 12.2 ptm180 -74.09 159.85 32.06 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.9 -179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 86.0 m . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.158 -179.9 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.509 -0.236 . . . . 0.0 112.509 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.3 p -96.79 129.66 44.18 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.925 0.393 . . . . 0.0 110.84 -179.684 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 21.3 t -167.16 138.53 3.19 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.842 -179.785 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -43.44 143.28 1.85 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.469 -179.987 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 56.6 p -72.13 -56.0 6.34 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.839 0.352 . . . . 0.0 110.882 -179.753 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.2 t 68.44 39.76 2.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.879 -179.809 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 88.19 -174.86 44.16 Favored Glycine 0 N--CA 1.451 -0.331 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.464 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.576 HG23 ' HD2' ' A' ' 9' ' ' PRO . 67.4 mt -51.04 136.02 28.49 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.647 0.737 . . . . 0.0 111.108 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.576 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.76 109.87 2.42 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.699 2.266 . . . . 0.0 112.352 179.864 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 42.3 mt-10 -129.85 144.83 51.51 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.871 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -103.97 141.68 35.76 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.849 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.409 ' HD2' HG22 ' A' ' 34' ' ' VAL . 30.3 mmtm -129.7 109.24 10.82 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.897 179.782 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 10.2 m-20 -174.0 142.73 0.88 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.869 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.603 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.9 t-80 -95.02 111.83 23.59 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.901 179.999 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.518 HD11 ' CD2' ' A' ' 103' ' ' TRP . 37.1 mt -87.92 -174.88 4.91 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.883 -179.919 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.59 ' HG2' ' CD2' ' A' ' 28' ' ' TYR . 8.1 ttt85 -82.06 115.64 21.29 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.891 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -122.1 129.05 75.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.165 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.592 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 10.4 t80 -142.45 131.89 23.68 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.834 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.426 ' HB3' ' NH1' ' A' ' 19' ' ' ARG . 5.9 mmm180 -125.6 102.43 29.31 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.615 0.722 . . . . 0.0 110.873 -179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.544 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.73 -170.07 0.37 Allowed 'Trans proline' 0 C--O 1.231 0.162 0 C-N-CA 122.706 2.27 . . . . 0.0 112.365 -179.985 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 8.7 ttp180 -170.73 179.86 3.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.888 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.3 mmmp? -61.04 -22.22 64.36 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.904 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -135.02 169.83 16.83 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 40.2 p -61.1 151.23 31.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.137 179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.401 ' O ' ' C ' ' A' ' 26' ' ' LYS . 14.6 tp -170.43 155.85 5.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 179.981 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 25' ' ' LEU . 5.3 ttmm -37.61 121.29 0.87 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.855 179.821 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -61.06 -126.1 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.772 -0.727 . . . . 0.0 112.465 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.592 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 47.5 m-85 -71.09 145.52 49.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.83 0.348 . . . . 0.0 110.946 -179.835 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 6.9 mtt-85 -125.83 159.35 32.69 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.864 -179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.3 tt0 -80.27 108.33 13.79 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.893 -179.913 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.603 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 14.3 m-70 -132.61 169.9 15.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.826 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 65.5 t-105 -109.13 125.6 52.34 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.931 -179.967 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.6 t -114.55 149.27 16.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.276 -0.42 . . . . 0.0 111.136 179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.409 HG22 ' HD2' ' A' ' 12' ' ' LYS . 54.6 t -146.57 123.99 3.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.132 179.938 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.501 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 38.0 t80 -95.23 131.96 40.72 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.921 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.48 ' O ' ' C ' ' A' ' 37' ' ' GLU . 26.7 tptp -114.94 157.55 23.23 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.48 ' C ' ' O ' ' A' ' 36' ' ' LYS . 6.4 mm-40 -31.57 -70.67 0.06 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.963 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.667 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -120.96 22.37 11.07 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 -179.886 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.419 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.8 OUTLIER -138.39 165.9 25.61 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.148 -179.944 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.419 ' H ' HG22 ' A' ' 39' ' ' THR . 5.0 tt -152.74 126.38 8.84 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.878 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.455 ' HB3' ' CB ' ' A' ' 53' ' ' PRO . 53.8 m -136.77 170.52 15.95 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.813 -179.937 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.9 p90 -160.97 157.79 26.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.934 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.568 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -131.56 164.72 25.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.894 -179.939 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.429 ' HA ' ' ND1' ' A' ' 31' ' ' HIS . 11.0 pttm -76.55 -28.36 56.27 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 18.5 m -144.19 129.71 19.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 -179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 61.8 tt0 -48.56 -44.56 36.7 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.906 -179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.09 -55.21 8.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.89 179.996 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.422 ' CD ' ' HE2' ' A' ' 44' ' ' LYS . 11.0 mt-10 -38.6 -60.74 0.78 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.888 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.54 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -51.21 155.51 2.28 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.583 0.706 . . . . 0.0 111.083 179.923 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.54 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.84 -51.04 0.16 OUTLIER 'Cis proline' 0 C--N 1.342 0.214 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.338 0.034 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.464 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.32 -107.61 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.472 179.941 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.4 m-20 -139.93 131.93 14.72 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.568 0.699 . . . . 0.0 110.855 -179.947 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.455 ' CB ' ' HB3' ' A' ' 41' ' ' SER . 54.2 Cg_endo -69.73 137.07 34.66 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.695 2.263 . . . . 0.0 112.365 -179.998 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 34.2 mt -49.03 -50.57 14.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.114 179.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 11.9 tp60 -155.42 108.14 2.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.919 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 2.9 pp0? -86.71 120.47 28.04 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.918 -179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.622 HD22 ' N ' ' A' ' 57' ' ' LEU . 1.0 OUTLIER -86.05 177.32 7.6 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.882 -179.947 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.424 ' O ' ' N ' ' A' ' 60' ' ' LYS . 22.7 t30 -132.0 74.01 1.56 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.872 179.956 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 34.1 mt -42.27 -24.55 0.05 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.436 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.4 OUTLIER -68.06 90.01 0.31 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.832 179.894 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 116.62 -30.27 6.5 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.491 179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.4 p -51.97 -175.52 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.784 0.326 . . . . 0.0 110.876 -179.854 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -115.97 158.51 22.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.851 -179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 64.8 t -134.42 124.38 45.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.171 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.416 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 11.4 t -130.0 94.71 30.38 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.598 0.713 . . . . 0.0 111.129 179.98 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.416 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.7 Cg_endo -69.79 131.76 21.87 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.666 2.244 . . . . 0.0 112.359 179.987 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 6.1 m-20 -128.66 37.15 4.15 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.844 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG11 ' CE1' ' A' ' 100' ' ' TYR . 2.9 m -78.06 140.07 17.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.124 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 29.2 t-20 -128.55 94.78 3.95 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.863 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.506 HG22 HD22 ' A' ' 132' ' ' LEU . 91.0 t -47.65 -38.55 6.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.202 179.883 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 9.1 t -40.9 -59.15 1.51 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.834 -179.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -103.88 37.2 3.87 Favored Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.512 179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 33.2 mm-40 39.36 39.85 0.5 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.868 0.366 . . . . 0.0 110.945 -179.848 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.427 ' HG3' ' CZ ' ' A' ' 93' ' ' ARG . 24.8 ttmt -97.46 148.68 22.97 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.951 179.913 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 8.0 m-85 -154.92 107.89 2.8 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.875 179.984 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.6 t -129.38 130.56 46.18 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.907 -179.953 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 17.4 mt -106.94 121.96 60.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.11 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.497 ' HD3' HD23 ' A' ' 80' ' ' LEU . 10.0 tttm -87.98 124.64 33.92 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.935 179.791 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.464 ' O ' HD22 ' A' ' 80' ' ' LEU . 9.6 mp -113.81 114.36 26.19 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.904 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.556 HD12 ' CE ' ' A' ' 87' ' ' MET . 4.4 mm? -123.85 114.43 19.85 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.942 179.844 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.408 HG21 ' HB3' ' A' ' 57' ' ' LEU . 24.1 t -120.33 125.85 27.05 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.631 0.729 . . . . 0.0 111.141 179.851 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 133.88 26.58 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.711 2.274 . . . . 0.0 112.306 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 80.4 p -139.49 150.19 62.81 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.653 0.74 . . . . 0.0 110.863 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -2.55 10.35 Favored 'Trans proline' 0 C--O 1.231 0.15 0 C-N-CA 122.686 2.257 . . . . 0.0 112.366 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 40.2 mt-10 -99.57 -41.43 7.35 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.86 -179.978 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -178.03 -114.21 0.39 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.494 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.556 ' CE ' HD12 ' A' ' 80' ' ' LEU . 4.4 tpt -144.07 120.98 11.31 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.804 0.335 . . . . 0.0 110.856 -179.939 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 30.1 t -92.54 84.73 5.13 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.846 -179.838 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 38.1 tt0 -94.9 111.64 23.41 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.884 -179.959 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 72.0 mt -119.68 137.74 52.57 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.148 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.8 m-85 -110.0 129.88 55.61 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.932 179.999 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 90.2 mt -125.48 114.11 18.37 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 179.966 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.427 ' CZ ' ' HG3' ' A' ' 74' ' ' LYS . 11.1 tpt180 -110.63 125.23 53.2 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.848 179.966 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 37.4 m -95.63 168.65 10.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.921 -179.97 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 7.0 tp60 -87.56 -57.97 2.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.895 -179.888 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.44 ' OD1' ' N ' ' A' ' 96' ' ' ASP . 0.2 OUTLIER -122.16 165.35 16.27 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.976 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.534 ' OE1' HD13 ' A' ' 132' ' ' LEU . 19.4 pt-20 -62.6 -31.1 71.88 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.877 -179.865 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 34.0 mm-40 -50.98 -46.77 61.42 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.953 -179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 26.8 tt0 -75.94 -45.46 34.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.894 -179.968 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.507 ' CE1' HG11 ' A' ' 68' ' ' VAL . 15.6 t80 -50.1 -60.45 2.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.941 -179.875 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -44.55 -49.93 9.85 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.074 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 87.6 mtt180 -54.16 -64.61 0.77 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.878 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CD2' HD11 ' A' ' 15' ' ' LEU . 49.8 m95 -59.62 -63.93 1.13 Allowed 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.916 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.452 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 6.6 tpp -34.84 -67.23 0.15 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.91 -40.01 0.93 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.041 179.936 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.418 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -62.93 -44.08 97.95 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.506 -179.948 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.0 m -65.45 -48.06 74.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.842 0.353 . . . . 0.0 110.879 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -54.75 -40.64 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.821 -179.836 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.76 HD23 ' CD ' ' A' ' 114' ' ' ARG . 10.8 mt -64.1 -56.28 16.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.926 -179.974 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -62.61 -27.96 69.57 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.103 179.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.3 t -59.79 -29.98 68.59 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmmt -103.57 -5.88 22.26 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.887 179.915 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 111.33 -35.72 4.59 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.485 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.76 ' CD ' HD23 ' A' ' 109' ' ' LEU . 7.5 ptp180 -60.93 146.2 47.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.898 0.38 . . . . 0.0 110.865 -179.862 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.667 HG22 HG23 ' A' ' 38' ' ' THR . 58.3 p -93.72 178.38 5.7 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.107 -179.906 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.663 ' HA ' HD13 ' A' ' 109' ' ' LEU . 20.1 ttp -84.61 -26.4 27.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.881 179.94 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.8 -23.38 17.89 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.099 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.3 t70 -68.2 154.65 41.28 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.859 179.99 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.412 ' O ' HG22 ' A' ' 122' ' ' THR . 10.3 m -64.47 -39.52 93.97 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.752 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 51.3 m -44.75 -32.05 1.4 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.855 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.455 ' HA ' HD11 ' A' ' 109' ' ' LEU . 39.6 t80 -43.4 -67.97 0.23 Allowed 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.9 -179.83 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.412 HG22 ' O ' ' A' ' 119' ' ' SER . 4.6 t -49.55 -32.98 13.63 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.135 -179.992 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -54.65 -32.18 58.72 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.806 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -80.95 -47.03 14.23 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.901 -179.993 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 47.7 t -52.22 -38.84 25.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.13 179.983 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.3 mm-40 -74.28 -60.67 2.16 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.91 -179.996 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.89 -41.37 5.14 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.102 179.924 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.423 ' O ' ' C ' ' A' ' 129' ' ' LEU . 38.2 mt -64.03 -66.43 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.086 -179.979 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.423 ' C ' ' O ' ' A' ' 128' ' ' ILE . 45.9 mt -36.04 -48.62 0.61 Allowed 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.895 179.926 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.448 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.39 -61.87 1.7 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.088 179.799 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.638 ' HA ' HD12 ' A' ' 134' ' ' LEU . 60.9 t80 -34.77 -50.58 0.47 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.902 -179.873 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.534 HD13 ' OE1' ' A' ' 97' ' ' GLU . 79.5 mt -50.61 -53.96 26.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.978 179.976 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -57.77 -46.97 83.82 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.638 HD12 ' HA ' ' A' ' 131' ' ' PHE . 51.7 mt -44.94 -31.0 1.12 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.9 179.973 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 15.2 mm-40 -68.49 -39.26 81.4 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.911 179.926 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 27.2 mmm180 -55.7 -176.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.878 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 22.0 m . . . . . 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.143 -179.885 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.496 -0.242 . . . . 0.0 112.496 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.2 p -155.01 156.62 36.29 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.889 0.376 . . . . 0.0 110.848 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 m -54.08 173.92 0.06 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.839 -179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -150.42 -78.99 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.481 -179.978 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 9.8 t -46.47 130.44 11.0 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.892 0.377 . . . . 0.0 110.852 -179.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 68.5 m -57.1 125.37 22.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.879 -179.802 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 96.68 159.37 31.74 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.51 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.648 HG23 ' HD2' ' A' ' 9' ' ' PRO . 79.6 mt -65.35 138.51 97.09 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.648 0.737 . . . . 0.0 111.125 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.648 ' HD2' HG23 ' A' ' 8' ' ' ILE . 54.4 Cg_endo -69.71 101.2 0.88 Allowed 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.889 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 23.4 mt-10 -118.18 154.03 32.86 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.884 -179.954 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.437 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.8 mt -110.23 138.23 46.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.907 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.442 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 37.5 mmtm -128.82 108.9 10.82 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.881 179.803 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.442 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 28.7 m-20 -174.38 141.47 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.855 179.875 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.532 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 12.6 t-80 -99.51 113.45 25.84 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.886 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.8 mt -87.84 -174.96 4.96 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.98 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.516 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 24.0 mtt85 -82.09 116.05 21.5 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.833 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 77.8 mt -118.44 120.49 64.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.156 179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.552 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.2 OUTLIER -143.62 139.69 29.76 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.908 179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 28.8 mtm-85 -129.36 133.43 25.12 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.597 0.713 . . . . 0.0 110.863 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -1.37 8.37 Favored 'Trans proline' 0 C--O 1.231 0.17 0 C-N-CA 122.712 2.275 . . . . 0.0 112.335 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.43 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 0.5 OUTLIER -82.17 161.99 22.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.892 -179.993 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.9 mptp? -75.88 52.25 0.68 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.907 179.967 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.2 tt -100.57 -47.06 5.0 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.928 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 26.4 m -121.58 140.74 51.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.21 179.926 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 4.1 mp -48.17 -59.61 3.28 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.92 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 14.6 tptp -111.06 -55.89 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.915 179.841 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.41 ' O ' ' C ' ' A' ' 28' ' ' TYR . . . 126.07 -162.32 20.3 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.483 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.516 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 24.5 m-85 36.5 51.51 0.87 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.854 0.359 . . . . 0.0 110.884 -179.808 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 52.4 mtp85 -79.02 173.97 12.03 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.862 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 46.6 tt0 -87.27 100.74 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.904 -179.951 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.532 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.6 m-70 -125.29 170.09 11.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 58.2 t-105 -112.85 125.6 54.53 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.965 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 t -119.2 146.35 23.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.286 -0.415 . . . . 0.0 111.141 179.922 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 90.3 t -139.62 119.9 14.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.16 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.536 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.3 t80 -95.25 134.54 37.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.894 -179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.487 ' O ' ' C ' ' A' ' 37' ' ' GLU . 0.6 OUTLIER -118.32 157.68 26.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.865 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.487 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.6 mt-10 -31.11 -71.52 0.05 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.902 179.948 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.77 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -120.47 23.05 11.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.113 -179.895 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.525 HG22 ' H ' ' A' ' 40' ' ' LEU . 3.8 m -139.44 167.3 22.38 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.115 -179.95 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.525 ' H ' HG22 ' A' ' 39' ' ' THR . 4.6 tt -149.54 137.44 20.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.935 179.926 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 13.8 m -140.56 131.66 26.33 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.887 -179.899 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.589 ' CE1' ' OE1' ' A' ' 55' ' ' GLN . 0.9 OUTLIER -130.31 142.22 50.55 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.935 -179.912 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.497 ' CD2' ' HA ' ' A' ' 53' ' ' PRO . 0.8 OUTLIER -118.36 174.64 6.12 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.924 -179.91 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.519 ' N ' HD11 ' A' ' 54' ' ' ILE . 47.9 mttp -78.82 -45.03 21.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.897 179.92 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 55.7 m -144.98 132.38 20.71 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.881 -179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.437 ' O ' ' C ' ' A' ' 47' ' ' ASP . 29.5 tt0 -40.98 -56.85 2.16 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.891 -179.949 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.437 ' C ' ' O ' ' A' ' 46' ' ' GLN . 0.1 OUTLIER -35.58 -54.62 0.69 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.889 -179.989 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 10.8 mt-10 -39.76 -56.42 1.74 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.898 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.555 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -43.77 147.28 0.87 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.549 0.69 . . . . 0.0 111.094 179.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.1 Cg_endo -69.7 -44.57 0.49 Allowed 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.705 -1.79 . . . . 0.0 112.359 -0.059 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.423 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 36.09 -102.69 0.02 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.501 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 7.6 p-10 -160.73 136.69 6.08 Favored Pre-proline 0 C--N 1.328 -0.345 0 CA-C-O 121.649 0.737 . . . . 0.0 110.904 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.497 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.74 130.95 20.27 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.674 2.249 . . . . 0.0 112.327 -179.944 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.519 HD11 ' N ' ' A' ' 44' ' ' LYS . 55.4 mt -42.94 -52.74 0.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.119 179.903 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.589 ' OE1' ' CE1' ' A' ' 42' ' ' TYR . 2.2 pt20 -144.46 137.54 27.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.892 -179.994 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 15.2 pt20 -117.87 105.3 11.79 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.893 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.652 HD13 HG11 ' A' ' 81' ' ' VAL . 2.5 mt -116.52 163.36 16.18 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.909 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.454 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 49.5 t30 -107.13 96.71 6.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.915 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 58' ' ' ASN . 27.9 mt -34.69 -36.42 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.878 179.984 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 19.0 ttpt -60.57 102.44 0.18 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 179.848 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.81 -39.0 2.12 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.495 179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.2 p -57.83 178.2 0.09 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.792 0.33 . . . . 0.0 110.873 -179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.2 tp10 -107.28 164.15 12.42 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.881 -179.883 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 97.7 t -137.22 123.03 26.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 50.2 t -128.58 95.9 31.48 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.591 0.71 . . . . 0.0 111.135 179.908 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.74 106.0 1.58 Allowed 'Trans proline' 0 N--CA 1.465 -0.173 0 C-N-CA 122.724 2.283 . . . . 0.0 112.339 179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -95.57 35.82 1.32 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.839 179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 98.5 t -66.63 129.09 30.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.069 -179.967 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 50.9 t30 -131.27 87.32 2.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.861 179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 71' ' ' SER . 76.4 t -51.1 -37.35 17.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.164 179.881 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.446 ' C ' ' O ' ' A' ' 70' ' ' VAL . 10.8 t -35.12 -43.89 0.22 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.807 -179.849 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.418 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -126.98 44.37 1.25 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.475 -179.975 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.418 ' C ' ' O ' ' A' ' 72' ' ' GLY . 79.1 mm-40 36.71 51.37 0.91 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.843 0.354 . . . . 0.0 110.893 -179.841 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 24.5 tttp -107.71 146.45 32.08 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.952 179.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 9.0 m-85 -153.26 105.35 2.87 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.917 179.955 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 68.8 m -129.06 145.52 51.25 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.837 -179.904 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 47.8 mt -114.94 94.07 2.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.104 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.437 ' HG2' ' CD2' ' A' ' 80' ' ' LEU . 14.4 tttp -70.8 101.94 2.23 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.872 179.872 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.433 ' C ' HD22 ' A' ' 80' ' ' LEU . 12.3 tp -96.08 128.33 42.88 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.921 179.921 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.501 HD11 ' OE1' ' A' ' 89' ' ' GLU . 4.2 mm? -121.18 113.78 20.47 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 179.924 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.652 HG11 HD13 ' A' ' 57' ' ' LEU . 15.4 t -127.44 116.38 21.34 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.604 0.716 . . . . 0.0 111.14 179.775 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.4 Cg_endo -69.71 150.68 68.81 Favored 'Trans proline' 0 C--N 1.341 0.162 0 C-N-CA 122.689 2.259 . . . . 0.0 112.383 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.5 m -143.48 155.45 60.64 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.655 0.741 . . . . 0.0 110.889 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 -8.15 22.88 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.379 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 10.8 mm-40 -99.8 -38.73 8.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.999 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.62 -106.68 0.2 Allowed Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.499 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.6 tpt -150.79 139.07 20.29 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.765 0.317 . . . . 0.0 110.843 -179.952 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 16.6 t -112.05 101.37 9.65 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.842 -179.806 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.501 ' OE1' HD11 ' A' ' 80' ' ' LEU . 2.9 tp10 -113.77 116.44 29.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.1 mp -120.3 132.37 70.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.157 179.931 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.6 m-85 -104.84 106.54 17.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 12.7 mt -99.8 129.67 45.93 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.881 179.962 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.2 ttt180 -126.24 106.23 9.39 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.879 179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.5 m -75.15 152.14 38.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . 0.431 ' HG3' ' N ' ' A' ' 96' ' ' ASP . 9.1 pt20 -62.62 -39.45 93.83 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.878 -179.886 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . 0.431 ' N ' ' HG3' ' A' ' 95' ' ' GLN . 24.3 p30 -142.88 -178.85 6.01 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.982 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.3 pm0 -70.93 -27.47 63.79 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.872 -179.851 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 17.8 mm-40 -53.05 -60.8 2.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.939 -179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 52.7 tt0 -63.01 -39.29 94.3 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.887 -179.94 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.477 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 6.8 t80 -50.49 -51.92 42.95 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.951 -179.897 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -57.96 -62.69 1.63 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.069 179.888 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 44.6 mtt180 -40.21 -61.35 0.9 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.904 -179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.536 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 40.5 m95 -61.42 -62.85 1.53 Allowed 'General case' 0 C--N 1.327 -0.377 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.903 -179.969 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 10.2 tpp -40.15 -68.13 0.19 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.881 179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.54 -42.82 0.8 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.123 179.909 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.477 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -61.68 -50.91 61.32 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.476 -179.993 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 67.8 m -56.83 -48.45 78.0 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-O 120.804 0.335 . . . . 0.0 110.894 -179.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -56.3 -52.64 63.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.881 -179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.526 HD11 ' HA ' ' A' ' 121' ' ' TYR . 8.8 mt -51.66 -43.12 62.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.904 -179.961 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.26 -43.25 70.91 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.137 179.789 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 38.0 t -38.29 -40.46 0.53 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.843 -179.778 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.1 mmtt -99.38 -34.3 10.35 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.841 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 150.9 -37.35 0.88 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.497 179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.452 ' N ' ' O ' ' A' ' 109' ' ' LEU . 85.5 mtt180 -45.33 162.62 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 120.871 0.367 . . . . 0.0 110.862 -179.902 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.77 HG22 HG23 ' A' ' 38' ' ' THR . 76.7 p -145.02 160.78 40.83 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.151 -179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.54 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 27.5 mtm -49.01 -37.46 20.53 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.876 179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -47.07 -39.39 12.9 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.113 179.908 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 28.1 t70 -68.32 155.01 40.64 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.897 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.508 ' O ' HG22 ' A' ' 122' ' ' THR . 80.7 p -70.08 -37.78 75.55 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.87 -179.766 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 67.7 m -46.08 -24.1 0.39 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.872 -179.868 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.54 ' CD1' ' HG2' ' A' ' 116' ' ' MET . 11.8 t80 -54.71 -60.93 2.69 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.938 -179.892 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.508 HG22 ' O ' ' A' ' 119' ' ' SER . 14.8 t -61.47 -31.36 71.32 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.116 -0.493 . . . . 0.0 111.152 -179.97 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.4 m -57.8 -34.07 69.24 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.889 -179.878 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -74.5 -47.62 32.04 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.887 -179.973 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 91.4 t -52.17 -43.07 37.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.101 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.8 mm-40 -65.09 -57.81 7.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.946 179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -51.22 -41.04 60.03 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.143 179.863 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 77.4 mt -62.66 -59.29 4.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.159 179.964 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 55.9 mt -42.49 -53.02 4.5 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.432 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.24 -60.69 2.39 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.109 179.84 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.432 ' C ' ' O ' ' A' ' 130' ' ' ALA . 56.3 t80 -35.04 -48.02 0.4 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.879 -179.905 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 30.2 mt -59.98 -53.4 58.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.942 -179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -48.77 -39.55 25.53 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.866 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 59.3 mt -58.96 -42.09 89.06 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.881 179.998 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 39.7 mm-40 -46.15 -53.22 10.82 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.913 179.935 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 6.7 ppt_? -87.2 166.21 15.12 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.884 -179.941 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 69.6 p . . . . . 0 C--N 1.33 -0.282 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.152 -179.957 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.358 0 N-CA-C 112.445 -0.262 . . . . 0.0 112.445 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.3 m -104.2 91.12 3.8 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.917 0.389 . . . . 0.0 110.872 -179.786 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 66.5 m -59.46 -61.17 2.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.855 -179.829 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 96.44 -175.6 31.91 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.5 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 93.4 p -148.45 169.13 20.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.885 0.374 . . . . 0.0 110.919 -179.782 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.8 t -118.02 96.13 5.21 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.828 -179.762 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 120.1 121.63 2.92 Favored Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.515 -179.969 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.502 HG22 ' HG3' ' A' ' 10' ' ' GLU . 27.7 mm -40.64 103.23 0.28 Allowed Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.613 0.72 . . . . 0.0 111.127 -179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.82 109.85 2.42 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.692 2.261 . . . . 0.0 112.345 179.871 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.502 ' HG3' HG22 ' A' ' 8' ' ' ILE . 43.6 mt-10 -126.8 143.74 51.17 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.892 -179.996 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.4 mt -101.6 136.21 41.83 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.877 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.429 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.7 mmtm -122.19 107.84 12.62 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.929 179.825 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.429 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.7 m-20 -172.48 141.53 1.17 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.844 179.88 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.4 t-80 -99.79 113.21 25.55 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.862 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 7.9 mt -87.85 -174.86 4.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.901 -179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.46 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 0.0 OUTLIER -82.06 115.69 21.31 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.851 179.952 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.8 mt -117.8 119.91 63.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.158 179.94 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 8.3 t80 -133.88 132.05 39.86 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -129.01 108.99 18.18 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.596 0.712 . . . . 0.0 110.875 -179.914 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.7 -4.07 13.25 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.661 2.241 . . . . 0.0 112.346 -179.981 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 43.6 mtp85 -83.59 -46.0 12.87 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.894 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 3.2 mmpt? -103.22 -53.11 2.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.894 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.42 HD23 ' O ' ' A' ' 26' ' ' LYS . 6.4 mp -80.45 115.92 20.23 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.881 179.935 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 85.6 m -107.54 -51.28 2.93 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.172 179.931 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 tp -92.19 -48.72 6.55 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 179.934 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.42 ' O ' HD23 ' A' ' 23' ' ' LEU . 4.1 tppp? -69.33 98.96 1.12 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.87 179.846 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -53.87 -83.23 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.684 -0.769 . . . . 0.0 112.524 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.46 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 74.3 m-85 -111.03 146.05 37.41 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.861 0.362 . . . . 0.0 110.892 -179.784 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 62.5 ttt180 -124.72 165.38 18.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.091 -0.504 . . . . 0.0 110.864 -179.972 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 51.3 tt0 -83.39 113.49 20.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.964 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 95.8 m-70 -135.43 168.56 18.99 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.986 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.33 122.17 45.89 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.969 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.2 t -118.04 142.63 31.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.122 179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 62.4 t -139.66 122.93 17.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 25.6 t80 -95.18 117.43 30.23 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.851 -179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.491 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.5 tptm -100.94 157.44 16.74 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.918 179.934 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 28.0 mt-10 -32.99 -70.06 0.08 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.89 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.69 HG23 HG22 ' A' ' 115' ' ' THR . 1.0 OUTLIER -119.72 20.84 12.22 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.151 -179.901 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.463 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.4 OUTLIER -138.15 169.04 18.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.137 -179.976 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.463 ' H ' HG22 ' A' ' 39' ' ' THR . 2.2 tt -160.89 131.93 5.47 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.96 179.98 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 14.9 m -148.77 157.28 43.32 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.866 -179.895 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.414 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.5 p90 -138.52 164.45 29.39 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.891 -179.835 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -140.51 171.03 14.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.888 -179.919 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 62.9 mttt -64.28 -50.71 66.82 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.897 179.913 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 1.2 m -147.03 162.18 39.31 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.88 -179.932 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -60.0 -49.76 76.4 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.949 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -39.5 -55.69 1.76 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.848 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 11.5 mt-10 -50.65 -60.61 2.86 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.854 -179.908 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.548 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.41 151.54 0.74 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.554 0.692 . . . . 0.0 111.135 179.937 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.548 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.1 Cg_endo -69.79 -44.23 0.53 Allowed 'Cis proline' 0 C--N 1.342 0.187 0 C-N-CA 122.687 -1.797 . . . . 0.0 112.299 0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.422 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 35.23 -110.9 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.461 179.961 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -142.58 134.68 13.34 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.567 0.698 . . . . 0.0 110.893 -179.949 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 144.14 53.17 Favored 'Trans proline' 0 C--O 1.231 0.163 0 C-N-CA 122.676 2.251 . . . . 0.0 112.299 -179.945 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 23.4 mt -56.79 -40.3 69.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.113 179.903 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.8 mt-30 -165.6 113.21 0.96 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.924 179.96 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -92.63 142.57 27.24 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.936 -179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.906 ' HB3' HG11 ' A' ' 81' ' ' VAL . 3.8 mt -143.79 131.57 21.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 -179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.403 ' O ' ' N ' ' A' ' 60' ' ' LYS . 29.4 t30 -78.77 104.48 9.42 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.918 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.609 HD13 ' HB3' ' A' ' 110' ' ' ALA . 29.1 mt -41.09 -27.44 0.07 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.927 179.972 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.403 ' N ' ' O ' ' A' ' 58' ' ' ASN . 7.3 mmtp -53.13 124.07 13.44 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 179.811 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 86.61 -31.13 4.31 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.492 179.937 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 1.5 p -47.48 171.73 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.807 0.337 . . . . 0.0 110.848 -179.85 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 15.8 tt0 -113.02 145.81 40.21 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 80.0 t -129.96 105.72 12.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.147 179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.418 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 13.8 t -114.02 96.06 40.46 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.653 0.74 . . . . 0.0 111.131 179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.418 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.75 136.43 33.02 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.64 2.226 . . . . 0.0 112.351 179.933 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 11.8 t70 -110.66 25.02 12.23 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.855 179.968 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.498 HG11 HD21 ' A' ' 132' ' ' LEU . 64.4 t -46.96 115.3 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.451 ' O ' ' N ' ' A' ' 71' ' ' SER . 33.5 t30 -124.58 64.89 1.09 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.883 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.405 ' CG2' HD22 ' A' ' 132' ' ' LEU . 53.0 t -37.43 -30.42 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.116 179.896 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.451 ' N ' ' O ' ' A' ' 69' ' ' ASN . 9.3 t -44.46 -54.38 6.01 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.871 -179.834 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.432 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -114.84 47.57 1.03 Allowed Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.432 ' C ' ' O ' ' A' ' 72' ' ' GLY . 98.8 mm-40 35.04 46.41 0.21 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.896 0.379 . . . . 0.0 110.916 -179.872 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.521 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 56.8 tttt -107.75 151.85 25.14 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.891 179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.521 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 16.6 m-85 -156.87 122.55 4.76 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.872 179.981 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.8 t -141.08 157.18 45.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 24.8 mt -130.61 101.14 5.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.147 -179.975 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.4 ' HE2' ' CG2' ' A' ' 65' ' ' VAL . 15.0 ttpt -70.69 118.68 13.8 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.885 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 9.8 mp -108.71 124.13 50.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 13.0 mt -132.64 123.31 26.13 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.939 179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.906 HG11 ' HB3' ' A' ' 57' ' ' LEU . 25.3 t -130.38 102.69 16.82 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.678 0.751 . . . . 0.0 111.119 179.861 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 135.52 30.77 Favored 'Trans proline' 0 C--N 1.342 0.203 0 C-N-CA 122.662 2.242 . . . . 0.0 112.359 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.5 m -143.45 160.47 51.24 Favored Pre-proline 0 C--N 1.329 -0.321 0 CA-C-O 121.686 0.755 . . . . 0.0 110.826 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.72 -16.82 37.91 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.716 2.277 . . . . 0.0 112.353 179.957 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 22.1 tp10 -81.53 -44.18 17.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.858 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -176.57 -117.18 0.49 Allowed Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.795 -0.717 . . . . 0.0 112.508 -179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 6.1 tpt -151.06 127.03 10.38 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.749 0.309 . . . . 0.0 110.87 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 3.9 m -110.22 95.89 5.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.858 -179.836 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 41.3 tt0 -111.57 113.32 25.64 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.056 -0.52 . . . . 0.0 110.839 -179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.0 mp -114.04 145.21 20.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.083 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 52.0 m-85 -112.77 122.19 46.94 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.908 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 46.1 mt -117.78 116.4 26.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.886 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 26.9 ttt180 -111.26 105.47 14.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.861 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 74.5 m -72.7 160.16 32.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.902 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 10.6 pt20 -83.08 -49.06 9.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.868 -179.882 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.9 t70 -130.19 163.13 27.35 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.847 -179.971 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.6 pt-20 -58.66 -29.18 66.38 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.859 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 88.2 mm-40 -53.73 -59.05 5.12 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.909 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.5 tp60 -63.62 -40.8 97.82 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.944 179.999 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 10.3 t80 -54.31 -62.11 1.87 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.919 -179.827 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.37 -52.69 12.38 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.136 -0.483 . . . . 0.0 111.078 179.861 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 68.2 mtt180 -50.72 -67.32 0.26 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.858 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 38.5 m95 -55.68 -64.08 0.96 Allowed 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.899 -179.939 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.432 ' C ' ' O ' ' A' ' 103' ' ' TRP . 26.8 tpp -35.41 -69.27 0.1 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.87 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.87 -38.13 0.64 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.107 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.422 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -61.43 -51.82 55.41 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.521 -179.963 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 98.2 m -58.01 -50.4 73.54 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.766 0.317 . . . . 0.0 110.862 -179.873 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . 0.413 ' CD ' ' SD ' ' A' ' 104' ' ' MET . 42.8 mtp85 -53.78 -39.91 65.83 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.844 -179.821 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.642 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.1 mt -67.96 -46.54 71.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.908 -179.964 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.609 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -69.09 -19.0 64.05 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.073 179.818 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.9 t -66.59 -38.05 86.2 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.826 -179.754 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 49.3 mmtt -102.39 10.52 38.99 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 98.61 -32.49 6.95 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.478 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 93.3 mtt180 -51.4 149.24 4.3 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.856 0.36 . . . . 0.0 110.857 -179.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.69 HG22 HG23 ' A' ' 38' ' ' THR . 70.6 p -120.56 -178.95 3.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.142 -179.938 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.6 mtm -76.44 -26.06 55.07 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.898 179.93 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -54.07 -29.62 44.93 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.13 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 25.3 t0 -69.08 159.79 32.23 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.915 179.946 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.1 m -81.21 -10.53 59.6 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.838 -179.718 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 5.6 t -73.53 -19.97 60.77 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.844 -179.834 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.642 ' HA ' HD11 ' A' ' 109' ' ' LEU . 21.6 t80 -53.3 -74.27 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.89 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.9 t -50.29 -30.79 12.7 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.189 -179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -56.25 -30.0 61.81 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.854 -179.875 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -80.15 -41.88 24.53 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.898 -179.936 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 59.6 t -58.43 -39.52 75.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.106 -0.497 . . . . 0.0 111.172 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 23.0 mm-40 -69.08 -52.55 27.25 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.874 -179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -55.34 -38.47 68.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.075 179.938 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 81.9 mt -68.38 -52.97 31.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.154 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.9 mt -52.58 -42.0 64.11 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.988 179.841 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.419 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -73.21 -60.13 2.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.116 179.783 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.419 ' C ' ' O ' ' A' ' 130' ' ' ALA . 80.1 t80 -36.9 -54.02 0.94 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.881 -179.95 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.498 HD21 HG11 ' A' ' 68' ' ' VAL . 59.3 mt -52.43 -46.35 66.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.9 -179.962 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -56.79 -40.48 75.98 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.839 -179.935 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 42.5 mt -61.43 -44.36 97.25 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.953 180.0 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 17.0 mm-40 -44.47 -64.38 0.7 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.9 179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 13.9 ptt180 -61.01 149.34 37.12 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.832 -179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 88.7 m . . . . . 0 C--N 1.329 -0.297 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.156 -179.949 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.45 -0.368 0 N-CA-C 112.515 -0.234 . . . . 0.0 112.515 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 93.5 p -95.18 121.53 36.91 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.917 0.389 . . . . 0.0 110.809 -179.665 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.8 m -145.4 147.17 31.95 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.85 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -110.51 173.37 16.24 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.477 -180.0 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.8 m -145.26 159.04 43.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.888 0.375 . . . . 0.0 110.815 -179.735 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.5 p -93.07 172.41 8.33 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.807 -179.815 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 62.17 152.93 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.497 -179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.516 HG22 ' HG3' ' A' ' 10' ' ' GLU . 16.8 mm -45.53 112.36 1.61 Allowed Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.59 0.71 . . . . 0.0 111.144 -179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 96.76 0.6 Allowed 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.702 2.268 . . . . 0.0 112.305 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.516 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.2 mt-10 -117.99 147.02 43.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.449 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.2 mt -102.68 133.5 47.6 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.912 -179.953 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.44 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 2.4 mmmm -118.48 109.04 15.74 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.44 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 10.9 m-20 -175.11 142.03 0.61 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.909 179.896 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.537 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.6 t-80 -101.71 112.2 24.71 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.832 -179.968 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.9 mt -87.96 -175.31 5.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.902 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.97 115.75 21.28 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.879 179.929 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 55.5 mt -113.86 123.94 70.02 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.15 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.537 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 6.4 t80 -141.47 134.64 29.3 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.923 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 53.5 mtm180 -144.61 105.0 4.6 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.591 0.71 . . . . 0.0 110.895 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.427 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.9 Cg_endo -69.75 1.63 4.25 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.675 2.25 . . . . 0.0 112.336 -179.951 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.47 ' NE ' ' HA ' ' A' ' 21' ' ' ARG . 1.0 OUTLIER -64.59 154.14 37.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.832 -179.931 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 21' ' ' ARG . 15.0 tptm -34.61 -46.24 0.27 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.944 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 66.9 mt -83.07 142.81 31.01 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.877 179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 1.6 m 66.74 46.09 1.8 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.173 179.939 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 10.2 tp -50.21 -50.62 49.01 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.916 179.968 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 6.0 mmpt? -47.68 147.0 2.01 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.922 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -63.93 -141.51 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.5 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CE1' ' HB2' ' A' ' 18' ' ' PHE . 55.7 m-85 -70.43 122.34 19.44 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.914 0.388 . . . . 0.0 110.864 -179.761 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.516 ' HD2' ' CE1' ' A' ' 31' ' ' HIS . 48.4 ttm-85 -118.1 156.2 29.07 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.836 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.441 ' N ' ' HG2' ' A' ' 29' ' ' ARG . 2.6 tt0 -65.27 113.79 4.28 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.936 -179.942 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.537 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 84.9 m-70 -138.83 169.81 17.12 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.831 -179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 38.3 t-105 -112.57 127.4 56.07 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.95 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 21.9 t -122.92 143.54 35.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.11 179.912 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -141.1 123.18 14.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.128 179.938 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.587 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.21 122.45 37.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.903 -179.998 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.461 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.9 tptm -105.79 157.49 17.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.98 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.461 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.0 mt-10 -32.76 -67.47 0.12 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.892 179.993 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.673 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -122.7 18.93 10.32 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.153 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.3 OUTLIER -135.01 168.41 19.16 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.992 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.488 HD23 ' N ' ' A' ' 41' ' ' SER . 4.1 tt -161.14 131.56 5.12 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.929 179.9 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.488 ' N ' HD23 ' A' ' 40' ' ' LEU . 49.8 m -149.6 157.36 43.18 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.843 -179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 1.5 p90 -139.65 166.18 25.27 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.956 -179.911 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.539 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.2 OUTLIER -137.45 169.25 18.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 -179.908 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 27.9 mtmm -68.08 -56.34 9.21 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.893 179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 28.8 t -128.64 142.89 50.89 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.839 -179.916 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 29.8 tt0 -47.03 -44.92 20.93 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.896 -179.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.443 ' O ' ' C ' ' A' ' 48' ' ' GLU . 30.5 t0 -51.45 -59.52 4.15 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.861 180.0 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.443 ' C ' ' O ' ' A' ' 47' ' ' ASP . 28.5 mt-10 -34.81 -57.75 0.53 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.828 -179.864 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.552 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.66 151.21 8.26 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.594 0.711 . . . . 0.0 111.098 179.961 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.552 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.77 -47.84 0.29 Allowed 'Cis proline' 0 C--N 1.341 0.176 0 C-N-CA 122.683 -1.799 . . . . 0.0 112.347 0.007 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.33 -103.21 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.367 0 C-N-CA 120.779 -0.724 . . . . 0.0 112.484 179.939 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.0 m-20 -146.54 125.88 6.6 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.624 0.726 . . . . 0.0 110.898 -179.995 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.456 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.7 129.37 17.55 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.712 2.275 . . . . 0.0 112.349 -179.977 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.42 ' C ' ' O ' ' A' ' 53' ' ' PRO . 58.6 mt -36.57 -40.56 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.189 179.904 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 6.2 tt0 -168.0 136.22 2.34 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.898 179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 26.4 pt20 -111.99 142.79 43.96 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.918 -179.959 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.552 ' HB3' HG11 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -139.1 134.83 33.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.895 179.998 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.406 ' O ' ' C ' ' A' ' 59' ' ' LEU . 29.0 t30 -84.74 95.53 8.97 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.924 179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.406 ' C ' ' O ' ' A' ' 58' ' ' ASN . 21.6 mt -38.04 -45.52 0.91 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.932 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.3 ttpt -52.13 111.76 0.68 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.914 179.81 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 112.34 -29.5 8.27 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.52 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.63 ' SG ' HG22 ' A' ' 81' ' ' VAL . 2.7 m -67.82 -176.56 0.67 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.795 0.331 . . . . 0.0 110.881 -179.906 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 14.7 tp10 -119.75 159.52 24.37 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.919 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 75.4 t -132.6 130.7 59.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.109 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.424 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 60.5 t -132.21 99.84 15.93 Favored Pre-proline 0 C--N 1.33 -0.267 0 CA-C-O 121.624 0.726 . . . . 0.0 111.138 179.875 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.424 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.1 Cg_endo -69.71 129.74 18.17 Favored 'Trans proline' 0 C--O 1.231 0.166 0 C-N-CA 122.698 2.265 . . . . 0.0 112.357 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -128.69 33.33 4.66 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.884 179.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 1.3 p -84.51 125.9 40.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 -179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.442 ' O ' ' N ' ' A' ' 71' ' ' SER . 5.6 m-20 -117.45 79.33 1.33 Allowed 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.9 -179.992 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.559 HG21 ' HB3' ' A' ' 132' ' ' LEU . 71.9 t -40.62 -25.7 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.094 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.442 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.5 t -53.27 -45.66 68.95 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.868 -179.888 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -107.01 23.35 27.71 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.468 -179.985 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 85.6 mm-40 49.79 47.33 23.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.872 0.367 . . . . 0.0 110.865 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 22.1 ttmt -125.8 118.58 25.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.92 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.543 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.8 OUTLIER -118.46 121.64 40.79 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.861 -179.985 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 66.7 m -137.6 156.55 47.94 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.839 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 64.5 mt -128.5 103.53 9.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.105 -179.964 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.465 ' HE2' HD11 ' A' ' 80' ' ' LEU . 0.1 OUTLIER -84.2 103.69 13.62 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.924 179.805 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.9 tp -94.61 139.49 31.13 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.914 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.611 HD22 ' CE ' ' A' ' 87' ' ' MET . 32.5 mt -128.77 101.77 6.26 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.965 179.838 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.634 HG13 ' HD2' ' A' ' 82' ' ' PRO . 92.3 t -107.24 138.53 19.91 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.649 0.738 . . . . 0.0 111.149 179.857 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.634 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.7 Cg_endo -69.73 150.2 68.06 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.709 2.273 . . . . 0.0 112.345 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -143.9 159.9 51.77 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.844 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 -12.33 32.66 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.72 2.28 . . . . 0.0 112.319 179.966 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 20.3 mm-40 -124.75 11.96 8.49 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.855 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 143.9 -98.97 0.21 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.611 ' CE ' HD22 ' A' ' 80' ' ' LEU . 3.8 ptm -173.14 158.75 3.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.777 0.322 . . . . 0.0 110.865 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 34.5 t -107.72 108.11 19.2 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 -179.823 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 4.9 mt-10 -90.83 111.3 22.64 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.9 -179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 97.8 mt -114.94 128.47 72.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.3 m-85 -108.0 113.21 26.23 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.952 -179.955 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 63.8 mt -111.3 120.35 41.92 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.972 179.929 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 27.9 ttm180 -111.37 123.91 51.18 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.858 179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 8.4 m -91.12 177.87 6.15 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.875 -179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 17.9 pt20 -96.59 -42.55 8.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.906 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 8.0 m-20 -141.94 175.73 9.49 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.869 179.924 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -64.98 -31.52 72.8 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.905 -179.888 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 16.8 mm-40 -52.23 -55.0 24.02 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.892 -179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.8 tp60 -71.9 -43.18 65.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.919 -179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -49.94 -59.44 3.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.936 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.56 -58.61 5.84 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.114 179.853 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 82.7 mtt180 -42.36 -67.41 0.27 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 -179.883 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.587 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.9 m95 -58.19 -62.34 1.9 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.973 179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.6 tpp -36.73 -63.82 0.39 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.888 179.917 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.48 -42.19 6.91 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.087 179.933 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.463 ' HA3' ' CZ ' ' A' ' 35' ' ' PHE . . . -58.05 -47.0 91.93 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.496 -179.955 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -65.11 -47.37 77.44 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.789 0.328 . . . . 0.0 110.934 -179.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 75.2 mtt180 -59.29 -44.39 92.49 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.925 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.839 HD11 ' HA ' ' A' ' 121' ' ' TYR . 16.2 mt -63.89 -45.12 90.77 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.898 -179.996 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -70.02 -29.07 66.04 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.131 179.786 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 1.8 t -56.39 -37.99 70.89 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.881 -179.836 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 68.7 mmtt -95.06 -17.07 22.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 179.937 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 125.89 -37.81 2.4 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.428 179.914 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 65.0 mtt180 -50.06 158.99 0.47 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.885 0.374 . . . . 0.0 110.916 -179.848 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.673 HG22 HG23 ' A' ' 38' ' ' THR . 44.1 p -133.44 161.48 34.45 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.121 -179.839 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.51 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 63.2 mtm -52.73 -39.56 62.23 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.816 179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.22 -26.61 0.33 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.268 -0.423 . . . . 0.0 111.118 179.898 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 24.9 t70 -81.58 148.97 28.85 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.894 179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 47.6 t -64.71 -38.47 91.1 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.865 -179.76 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.4 t -44.8 -24.3 0.2 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.857 -179.806 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.839 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.0 t80 -50.4 -65.43 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.94 -179.899 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -50.53 -30.39 12.85 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.17 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.6 t -55.72 -30.01 60.46 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.912 -179.902 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -82.87 -48.78 10.36 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.882 -179.973 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 24.2 t -50.11 -43.65 21.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.131 179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.0 mm-40 -68.2 -61.31 1.91 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.883 179.986 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.42 -45.36 12.74 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.121 179.935 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 37.8 mt -61.09 -59.75 3.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.361 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.127 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 53.7 mt -41.18 -46.68 3.14 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.96 179.859 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.65 -61.14 1.88 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.106 179.762 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 42.7 t80 -38.51 -50.64 1.57 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.91 -179.923 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.559 ' HB3' HG21 ' A' ' 70' ' ' VAL . 46.5 mt -47.82 -47.68 31.05 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.6 t -53.31 -46.0 69.21 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 29.7 mt -54.0 -43.38 70.0 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 77.9 mt-30 -44.98 -53.87 7.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.885 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 16.0 ptt180 -76.83 148.21 36.69 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.873 -179.894 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 81.7 p . . . . . 0 C--N 1.329 -0.284 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.153 -179.901 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.325 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 52.3 m -83.52 139.97 32.57 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.856 0.36 . . . . 0.0 110.895 -179.772 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 61.2 p -115.77 166.24 12.16 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.829 -179.785 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -166.53 165.99 38.68 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.452 179.961 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 4.9 t -169.51 109.29 0.43 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.854 -179.756 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 69.1 m -53.39 166.42 0.28 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.853 -179.824 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 52.2 -177.99 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.503 179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.514 HG22 ' HG3' ' A' ' 10' ' ' GLU . 17.2 mm -38.42 103.28 0.27 Allowed Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.67 0.747 . . . . 0.0 111.128 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 113.07 3.25 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.687 2.258 . . . . 0.0 112.298 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.514 ' HG3' HG22 ' A' ' 8' ' ' ILE . 18.0 mt-10 -134.31 147.52 50.61 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.995 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.2 mt -104.02 136.3 43.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.917 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.45 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.2 mmmt -121.01 108.95 14.48 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.897 179.882 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.45 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 8.6 m-20 -173.74 142.64 0.93 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.86 179.879 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.59 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.8 t-80 -99.11 113.51 25.77 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.819 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.51 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.9 mt -88.94 -174.76 4.61 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.963 179.972 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 8.9 mmp_? -81.99 115.7 21.27 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.912 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 38.2 mt -115.8 124.77 72.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.133 -179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.508 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 19.7 t80 -128.29 132.14 48.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 22.3 mmm180 -127.35 94.14 39.23 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.633 0.73 . . . . 0.0 110.893 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.438 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.5 Cg_endo -69.79 -8.04 22.59 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.671 2.248 . . . . 0.0 112.383 -179.997 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -111.31 82.77 1.66 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.85 -179.988 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.4 tppt? -158.13 148.02 19.98 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 8.8 mt -49.01 -64.0 0.93 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.905 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 54.5 m -137.88 129.59 28.32 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.173 179.95 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.82 HD22 ' C ' ' A' ' 25' ' ' LEU . 0.0 OUTLIER -162.03 153.55 18.5 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 -180.0 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.473 ' N ' HD22 ' A' ' 25' ' ' LEU . 20.6 ttpp -119.93 97.71 5.75 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.822 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.89 -123.28 6.46 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.509 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.508 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 97.0 m-85 -98.58 161.06 13.86 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.859 0.362 . . . . 0.0 110.931 -179.811 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 60.9 mtm180 -135.17 163.38 30.07 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.843 -179.937 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 49.9 tt0 -85.63 98.35 10.62 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.907 -179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.59 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 11.0 m-70 -122.74 170.23 10.28 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.851 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 30.5 t-105 -109.09 140.4 42.69 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.901 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 19.5 t -133.16 140.95 45.95 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.157 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.3 t -134.66 125.94 47.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.118 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.579 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 13.8 t80 -98.8 120.52 39.38 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.901 -179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.483 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.8 tptm -107.59 157.68 17.86 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.93 179.952 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.47 ' C ' ' O ' ' A' ' 36' ' ' LYS . 40.7 mt-10 -32.18 -75.08 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.851 179.963 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.816 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -116.38 24.47 11.33 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.151 -179.923 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.4 OUTLIER -139.93 162.41 35.24 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.103 179.993 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.54 HD23 ' N ' ' A' ' 41' ' ' SER . 5.1 tt -154.38 138.23 16.25 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.54 ' N ' HD23 ' A' ' 40' ' ' LEU . 5.2 t -149.67 158.74 44.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.873 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.4 p90 -141.14 143.89 34.53 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.911 -179.891 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.5 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 2.4 m-85 -123.88 172.6 8.79 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.898 -179.926 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 30.5 ttpt -89.93 -37.47 14.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.903 179.925 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.6 t -142.78 129.98 20.91 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.892 -179.908 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.1 tt0 -48.34 -23.71 1.0 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.938 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 82.1 m-20 -69.21 -35.46 76.22 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.841 179.987 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.435 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.8 pt-20 -71.51 -16.83 62.36 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.858 -179.846 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -98.29 151.68 37.62 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.536 0.684 . . . . 0.0 111.126 179.92 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.78 -49.46 0.23 Allowed 'Cis proline' 0 C--N 1.341 0.17 0 C-N-CA 122.693 -1.794 . . . . 0.0 112.309 0.043 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.452 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.93 -107.43 0.03 OUTLIER Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.492 179.967 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 22.9 t0 -139.35 123.01 10.88 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.631 0.729 . . . . 0.0 110.822 -179.953 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.5 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 53.9 Cg_endo -69.74 151.56 69.21 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.715 2.277 . . . . 0.0 112.341 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.1 mt -56.43 -44.66 80.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.139 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.9 tt0 -163.76 105.64 0.94 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 179.97 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 22.8 pt20 -80.23 143.79 33.45 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.952 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -141.22 146.81 37.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.931 -179.968 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 3.0 p-10 -104.3 106.87 17.52 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 23.1 mt -48.14 -24.96 1.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.94 179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 4.6 mtmp? -66.55 104.09 1.2 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.919 179.84 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 100.94 24.52 9.04 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.472 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.536 ' HB2' HG22 ' A' ' 81' ' ' VAL . 16.8 p -112.23 179.31 4.03 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.811 0.339 . . . . 0.0 110.874 -179.931 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 17.2 tt0 -108.07 153.17 23.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.879 -179.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 88.2 t -142.15 120.76 8.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.151 179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 6.7 t -123.96 98.79 38.86 Favored Pre-proline 0 C--N 1.33 -0.268 0 CA-C-O 121.6 0.714 . . . . 0.0 111.131 179.925 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.81 110.6 2.6 Favored 'Trans proline' 0 C--N 1.341 0.142 0 C-N-CA 122.704 2.269 . . . . 0.0 112.304 179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.5 m-20 -97.87 35.4 1.71 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.836 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.8 t -64.64 123.66 17.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.132 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -127.1 88.12 2.76 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.906 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 93.0 t -51.81 -40.36 27.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.088 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 1.3 t -42.44 -36.63 1.36 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.822 -179.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.434 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -124.14 37.81 2.57 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.466 -179.924 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.434 ' C ' ' O ' ' A' ' 72' ' ' GLY . 92.0 mm-40 35.06 38.92 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.888 0.375 . . . . 0.0 110.898 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 1.3 ttmp? -94.43 141.51 28.5 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.871 179.952 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 57.7 m-85 -144.61 109.17 4.9 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -136.81 154.06 50.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.91 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 57.3 mt -123.69 90.08 1.55 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.118 -179.921 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 23.7 tttt -63.77 106.59 1.02 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.873 179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.415 HD12 ' HA ' ' A' ' 79' ' ' LEU . 10.1 tp -99.14 120.38 39.41 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.91 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.681 HD22 ' SD ' ' A' ' 87' ' ' MET . 9.2 mt -128.75 98.07 4.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.896 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.536 HG22 ' HB2' ' A' ' 62' ' ' CYS . 67.7 t -100.28 134.05 21.03 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.596 0.712 . . . . 0.0 111.143 179.819 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.469 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.1 Cg_endo -69.75 142.28 47.54 Favored 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.677 2.252 . . . . 0.0 112.321 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 15.6 m -134.47 140.97 37.29 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.646 0.736 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -5.61 16.64 Favored 'Trans proline' 0 C--N 1.341 0.15 0 C-N-CA 122.675 2.25 . . . . 0.0 112.322 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mt-10 -120.7 -15.75 8.35 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.975 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 175.92 -128.51 1.39 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.467 179.988 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.681 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.0 ttm -151.04 150.37 30.65 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.8 0.333 . . . . 0.0 110.85 -179.939 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.8 t -119.67 90.63 3.37 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.822 -179.784 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.513 ' OE2' HD21 ' A' ' 80' ' ' LEU . 18.4 tt0 -93.89 113.15 25.11 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.868 -179.944 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 64.1 mt -121.11 143.56 32.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.128 179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.4 m-85 -112.42 121.63 45.4 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.891 -179.963 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -112.87 114.14 26.53 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.889 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 32.7 ttp180 -112.72 107.11 15.64 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.863 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.51 ' SG ' HD22 ' A' ' 15' ' ' LEU . 78.0 m -79.15 -177.68 5.77 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.86 -179.943 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -89.01 -55.19 3.79 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.918 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -133.6 169.65 16.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.858 -179.999 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.429 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 20.3 pt-20 -59.02 -31.7 69.06 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.905 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 25.9 mt-30 -48.73 -56.87 7.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.112 -0.494 . . . . 0.0 110.915 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 62.4 tt0 -68.75 -36.27 78.16 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.936 -179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.424 ' CZ ' ' HG2' ' A' ' 104' ' ' MET . 60.2 t80 -55.69 -55.11 36.05 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.949 -179.884 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -47.62 -56.89 6.25 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.108 -0.496 . . . . 0.0 111.122 179.821 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 50.4 mtt180 -48.88 -67.63 0.25 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 -179.919 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.579 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 43.1 m95 -54.6 -65.73 0.53 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.91 -179.965 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.424 ' HG2' ' CZ ' ' A' ' 100' ' ' TYR . 1.9 tpp -36.93 -70.14 0.1 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.863 179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.42 -33.61 0.11 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.073 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -71.18 -53.14 11.01 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.511 -179.974 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.3 m -55.77 -38.04 69.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.829 0.347 . . . . 0.0 110.866 -179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 42.2 mtp85 -66.98 -49.33 65.74 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.843 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.444 HD11 ' HA ' ' A' ' 121' ' ' TYR . 11.1 mt -57.06 -43.02 81.62 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.94 -179.982 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -71.35 -29.08 64.56 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.087 179.814 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 34.1 t -48.9 -46.22 42.47 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.282 -0.417 . . . . 0.0 110.858 -179.833 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 7.7 mmpt? -90.51 -26.95 19.5 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.865 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 140.59 -31.78 2.2 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.467 179.931 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 97.0 mtt180 -58.23 155.72 11.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.889 0.376 . . . . 0.0 110.854 -179.864 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.816 HG22 HG23 ' A' ' 38' ' ' THR . 19.2 p -134.31 171.48 14.21 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.127 -179.91 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 53.1 mtm -50.18 -32.97 17.64 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 179.865 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.48 -36.54 2.98 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.098 179.917 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -69.22 138.71 54.25 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.87 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.3 m -65.56 -20.08 66.18 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.864 -179.749 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 58.6 m -66.46 -19.83 65.89 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.86 -179.85 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.444 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.9 t80 -52.58 -58.17 7.66 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.89 -179.841 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.8 t -59.79 -27.41 66.54 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.188 -179.983 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.5 t -61.41 -31.1 71.02 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.835 -179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.3 OUTLIER -81.26 -42.56 20.5 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.865 -179.934 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 92.9 t -55.72 -41.9 67.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.18 -0.463 . . . . 0.0 111.118 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.2 mm-40 -72.1 -57.55 4.17 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.886 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -45.18 -39.71 6.47 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.139 179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.436 ' O ' ' C ' ' A' ' 129' ' ' LEU . 60.9 mt -66.01 -64.9 0.64 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.111 179.998 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.436 ' C ' ' O ' ' A' ' 128' ' ' ILE . 38.6 mt -35.53 -47.63 0.46 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.917 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.64 -58.18 3.56 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.153 179.763 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 88.8 t80 -40.25 -50.39 2.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.85 -179.927 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.429 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 79.9 mt -51.93 -46.67 64.75 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.928 -179.989 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -56.08 -46.39 79.02 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.833 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.5 mt -53.86 -40.85 66.87 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.7 mm-40 -47.36 -42.69 22.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.901 179.945 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.4 ptm180 -102.14 145.62 29.12 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.837 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 11.2 p . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.163 -179.934 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.303 0 N-CA-C 112.497 -0.241 . . . . 0.0 112.497 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 44.3 t -107.49 129.44 54.96 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-O 120.917 0.389 . . . . 0.0 110.854 -179.736 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 8.6 t 56.78 35.0 25.6 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.909 -179.785 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 75.56 -170.07 54.61 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.45 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.9 p -169.87 108.38 0.38 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.896 0.379 . . . . 0.0 110.896 -179.723 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.7 t 74.78 40.57 0.37 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.87 -179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 141.38 169.31 11.84 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.703 -0.761 . . . . 0.0 112.465 -179.967 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.603 HG23 ' HD2' ' A' ' 9' ' ' PRO . 63.5 mt -44.53 136.66 4.27 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.591 0.71 . . . . 0.0 111.144 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.603 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 100.23 0.8 Allowed 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.689 2.259 . . . . 0.0 112.328 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -129.21 142.73 50.77 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.886 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.3 mt -102.13 144.5 30.61 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.887 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.401 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.4 mtmt -137.73 115.17 11.14 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.925 179.842 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.401 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -172.67 138.22 0.84 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.873 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . . . . . . . . . 15.3 t-80 -91.3 110.9 22.21 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 -179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.2 mt -87.86 -174.79 4.88 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.904 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 40.3 mtt180 -81.95 115.65 21.22 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.865 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.5 mt -119.78 127.71 75.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.138 179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 38.3 t80 -144.34 133.25 22.6 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.895 179.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 52.4 mtt180 -128.13 90.84 46.18 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.633 0.73 . . . . 0.0 110.847 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -0.18 6.53 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 2.26 . . . . 0.0 112.384 179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 31.5 ttm180 -55.37 -40.69 71.62 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.87 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -174.2 116.18 0.21 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.433 ' HA ' HD12 ' A' ' 23' ' ' LEU . 10.5 tp -157.0 151.12 24.96 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.275 -0.421 . . . . 0.0 110.957 179.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.8 m -81.86 -61.44 1.92 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.181 179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.7 mm? -91.12 179.91 5.61 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.92 179.916 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 3.8 mptt -117.81 162.51 17.97 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.865 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.12 165.38 25.76 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.516 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 47.5 m-85 -76.03 175.69 8.64 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.853 0.359 . . . . 0.0 110.922 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 10.2 mmt85 -133.72 159.61 40.04 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.894 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 31.8 tt0 -91.08 106.6 18.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.939 -179.951 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . . . . . . . . . 94.3 m-70 -125.48 169.95 11.9 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.839 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 29.0 t-105 -114.57 121.52 43.72 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.876 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.3 t -117.14 141.04 37.31 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.244 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 61.1 t -138.01 123.76 25.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.131 179.923 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . . . . . . . . . 26.2 t80 -95.17 127.38 41.18 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.889 -179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.507 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.3 tptm -116.02 158.0 23.77 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.926 179.972 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.507 ' C ' ' O ' ' A' ' 36' ' ' LYS . 14.9 mt-10 -29.32 -71.38 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.262 -0.427 . . . . 0.0 110.857 179.954 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.784 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -123.1 24.5 8.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.165 -179.917 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -136.7 155.8 49.39 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.134 -179.962 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . . . . . . . . . 3.3 tt -150.39 129.12 12.37 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.916 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 60.4 m -149.79 160.17 43.77 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.887 -179.897 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.542 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 1.8 p90 -137.41 175.85 9.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.916 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.542 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 2.7 m-85 -145.91 174.49 11.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 -179.885 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.811 ' HG3' HD11 ' A' ' 54' ' ' ILE . 19.1 mttt -92.93 -35.93 13.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.91 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.407 ' O ' ' N ' ' A' ' 47' ' ' ASP . 19.9 p -146.45 127.56 14.67 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.281 -0.418 . . . . 0.0 110.885 -179.915 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 5.2 tm0? -43.27 -23.73 0.07 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.907 -179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.407 ' N ' ' O ' ' A' ' 45' ' ' SER . 20.0 m-20 -68.21 -45.11 74.23 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.849 179.986 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.415 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 4.1 pt-20 -60.77 -24.56 65.86 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.89 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.557 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -89.44 148.0 39.37 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.552 0.691 . . . . 0.0 111.099 179.981 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.557 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.88 -51.07 0.16 OUTLIER 'Cis proline' 0 C--N 1.341 0.168 0 C-N-CA 122.657 -1.81 . . . . 0.0 112.321 0.11 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.446 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.38 -101.91 0.01 OUTLIER Glycine 0 N--CA 1.452 -0.261 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.445 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -142.16 123.58 8.73 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.636 0.731 . . . . 0.0 110.86 -179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.467 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.1 Cg_endo -69.77 139.38 40.07 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.734 2.289 . . . . 0.0 112.296 -179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.811 HD11 ' HG3' ' A' ' 44' ' ' LYS . 93.0 mt -43.66 -43.01 1.66 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.168 179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 7.6 tp60 -166.42 134.12 2.73 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.89 179.945 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.608 ' C ' HD12 ' A' ' 57' ' ' LEU . 14.2 pt20 -109.74 139.34 44.91 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.928 -179.979 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.666 HD12 ' N ' ' A' ' 57' ' ' LEU . 0.7 OUTLIER -139.26 133.65 31.55 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.915 179.978 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 21.4 p-10 -89.35 105.62 17.91 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.894 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.808 HD13 ' HB3' ' A' ' 110' ' ' ALA . 12.2 mt -42.79 -32.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 2.0 mmmp? -57.89 95.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 179.841 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 122.58 -23.22 7.16 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.783 -0.722 . . . . 0.0 112.498 179.917 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 12.3 p -72.6 164.06 27.07 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.742 0.306 . . . . 0.0 110.896 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 5.7 tp10 -100.15 164.68 11.86 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.927 -179.878 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 84.1 t -134.91 114.57 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.173 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 11.3 t -124.64 100.03 35.1 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.587 0.708 . . . . 0.0 111.094 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.75 147.29 62.61 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.65 2.234 . . . . 0.0 112.363 179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 7.3 t0 -120.81 19.14 11.82 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.464 HG11 HD21 ' A' ' 132' ' ' LEU . 46.8 t -50.96 114.28 0.38 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.464 . . . . 0.0 111.146 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.404 ' O ' ' C ' ' A' ' 70' ' ' VAL . 2.2 t-20 -124.67 74.14 1.32 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.871 -179.953 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.43 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.2 t -37.56 -38.34 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.167 179.91 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 70' ' ' VAL . 41.0 t -34.81 -53.25 0.55 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.848 -179.872 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.438 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -122.48 48.81 0.93 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.464 -179.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.438 ' C ' ' O ' ' A' ' 72' ' ' GLY . 12.9 mm-40 34.87 39.36 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.892 0.377 . . . . 0.0 110.925 -179.88 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 77.7 tttt -96.75 135.13 39.14 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.957 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.422 ' CD2' HG13 ' A' ' 68' ' ' VAL . 5.6 m-85 -145.44 112.29 5.96 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.905 179.965 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 15.2 t -137.54 146.62 44.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.935 -179.944 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 46.8 mt -110.46 104.89 17.79 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.348 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.177 -179.961 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.498 ' HG2' HD21 ' A' ' 80' ' ' LEU . 35.0 tttt -84.32 100.03 10.99 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.879 179.878 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.815 ' C ' HD22 ' A' ' 80' ' ' LEU . 7.9 tp -88.22 142.23 27.92 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.901 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.815 HD22 ' C ' ' A' ' 79' ' ' LEU . 3.9 mm? -133.49 114.18 13.32 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.918 179.887 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.572 HG11 ' HB3' ' A' ' 57' ' ' LEU . 15.0 t -122.96 102.89 37.27 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.613 0.72 . . . . 0.0 111.138 179.838 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.79 137.47 35.43 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.682 2.255 . . . . 0.0 112.328 179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.9 m -145.16 159.67 48.53 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.664 0.745 . . . . 0.0 110.856 -179.838 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -1.46 8.49 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.687 2.258 . . . . 0.0 112.345 179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.3 mm-40 -93.95 -39.08 10.86 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.917 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 170.89 -103.72 0.19 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.49 -179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -149.51 128.94 12.98 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.809 0.338 . . . . 0.0 110.857 -179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 21.3 m -112.24 80.46 1.34 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.863 -179.816 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 21.8 tt0 -101.57 117.52 35.07 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.908 -179.972 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 2.8 mp -115.46 144.83 22.16 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.101 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 17.1 m-85 -107.46 129.47 54.94 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.952 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 23.6 mt -129.2 114.18 15.98 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.938 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 10.0 tpt180 -111.71 126.1 54.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.848 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 93.5 m -95.24 153.24 17.76 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 29.5 tt0 -66.21 -53.66 34.55 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.948 -179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 3.0 m-20 -123.76 174.28 7.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.852 179.956 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.44 ' OE2' ' N ' ' A' ' 98' ' ' GLN . 0.0 OUTLIER -69.24 -28.75 66.62 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.911 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.44 ' N ' ' OE2' ' A' ' 97' ' ' GLU . 22.8 mm-40 -55.97 -64.43 0.86 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.898 -179.901 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 9.7 tp60 -54.26 -40.98 68.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.929 -179.981 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -57.39 -48.89 77.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.952 -179.889 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -53.26 -54.43 36.39 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.119 -0.491 . . . . 0.0 111.099 179.832 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.466 ' HA ' HG22 ' A' ' 125' ' ' VAL . 85.0 mtt180 -51.35 -64.43 0.81 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.944 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.419 ' O ' ' C ' ' A' ' 104' ' ' MET . 41.4 m95 -54.37 -64.16 0.92 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.88 -179.932 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.419 ' C ' ' O ' ' A' ' 103' ' ' TRP . 23.7 tpp -36.38 -62.18 0.47 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.926 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -44.33 -39.78 4.84 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.093 179.921 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.417 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -59.36 -55.54 30.14 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.478 -179.958 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 88.5 m -58.89 -30.77 68.02 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.804 0.335 . . . . 0.0 110.892 -179.861 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.0 mtp85 -69.95 -42.48 73.16 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.861 -179.852 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.667 HD11 ' HA ' ' A' ' 121' ' ' TYR . 12.7 mt -68.66 -55.97 9.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.911 179.998 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.808 ' HB3' HD13 ' A' ' 59' ' ' LEU . . . -59.42 -27.25 65.86 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.127 179.793 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 6.7 t -57.29 -33.97 68.2 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.871 -179.791 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 58.7 mmtt -105.82 -2.04 23.59 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.906 179.93 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 116.93 -45.16 1.32 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.489 179.934 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 88.0 mtt180 -44.9 150.6 0.36 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.926 0.394 . . . . 0.0 110.843 -179.851 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.784 HG22 HG23 ' A' ' 38' ' ' THR . 3.6 p -125.72 160.25 30.23 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.123 -179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.441 ' HE3' ' O ' ' A' ' 9' ' ' PRO . 8.0 ttm -42.54 -43.96 3.93 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.848 179.912 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . 0.413 ' C ' ' O ' ' A' ' 116' ' ' MET . . . -36.3 -36.56 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.059 179.936 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 5.9 t0 -65.79 136.73 56.59 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.88 179.986 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 32.0 t -58.27 -34.4 70.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.865 -179.742 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.403 ' O ' ' C ' ' A' ' 121' ' ' TYR . 3.6 m -48.42 -33.71 9.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.822 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.667 ' HA ' HD11 ' A' ' 109' ' ' LEU . 23.8 t80 -38.3 -70.09 0.11 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.946 -179.874 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 2.4 t -56.65 -33.02 65.94 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.136 -179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 3.9 t -54.91 -32.38 61.06 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.807 -179.849 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 30.5 mm-40 -78.44 -44.5 24.55 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 102' ' ' ARG . 71.2 t -52.86 -43.54 46.36 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.125 -0.488 . . . . 0.0 111.14 179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.1 mm-40 -69.05 -57.31 5.61 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.905 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.71 -40.09 12.71 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.097 179.939 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 65.6 mt -65.36 -56.0 17.47 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.158 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 1.6 mp -50.45 -36.65 34.31 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.918 179.869 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.49 -64.34 0.97 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.213 -0.448 . . . . 0.0 111.105 179.805 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 53.9 t80 -42.2 -43.99 3.57 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.847 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.464 HD21 HG11 ' A' ' 68' ' ' VAL . 71.9 mt -55.98 -48.63 75.48 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.927 -179.964 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.8 t -61.14 -35.45 77.09 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.884 -179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 45.7 mt -59.69 -26.58 65.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.922 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.5 mm-40 -66.76 -63.28 1.1 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.928 179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.409 ' HD3' ' C ' ' A' ' 136' ' ' ARG . 0.4 OUTLIER -65.56 161.62 19.88 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.922 -179.969 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 29.6 m . . . . . 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.109 -179.892 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.318 0 N-CA-C 112.462 -0.255 . . . . 0.0 112.462 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 84.1 p -40.97 129.23 2.72 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.893 0.378 . . . . 0.0 110.848 -179.761 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 70.6 m -89.7 -44.42 10.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.863 -179.82 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 177.88 -151.65 10.97 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.496 179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 77.8 p -129.14 155.14 45.96 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.885 0.374 . . . . 0.0 110.829 -179.733 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.9 t -141.67 150.65 42.18 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.895 -179.851 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -48.9 148.47 4.91 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.47 -179.937 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.412 ' HA ' ' HD2' ' A' ' 9' ' ' PRO . 12.8 mm -39.68 105.52 0.36 Allowed Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.607 0.718 . . . . 0.0 111.106 -179.952 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.78 114.58 3.75 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.682 2.255 . . . . 0.0 112.315 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.405 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.4 mt-10 -129.29 154.3 46.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.931 179.972 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.446 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -107.99 145.48 33.84 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.924 -179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 45.6 mmtt -131.24 105.94 7.99 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.889 179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.9 m-20 -173.28 142.65 1.03 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.874 179.904 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.53 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.2 t-80 -103.78 113.74 27.48 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.908 179.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.0 mt -88.21 -175.27 4.98 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 42.4 mtt-85 -82.26 115.77 21.48 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.881 179.933 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 12.3 mt -116.08 120.77 65.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.106 -179.974 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.565 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 51.6 t80 -122.82 133.0 54.46 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.859 179.981 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.412 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 16.5 mmm180 -132.98 91.0 30.05 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.627 0.727 . . . . 0.0 110.92 -179.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.565 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.4 Cg_endo -69.71 2.5 3.45 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.732 2.288 . . . . 0.0 112.332 -179.977 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 15.9 mmt180 -80.78 -39.49 26.69 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.83 -179.881 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.435 ' HE3' ' N ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -70.25 138.39 51.59 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.894 179.978 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.471 ' HG ' ' N ' ' A' ' 24' ' ' THR . 1.1 pt? -55.42 -176.2 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.93 179.896 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.471 ' N ' ' HG ' ' A' ' 23' ' ' LEU . 14.2 t 35.81 32.69 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.152 179.949 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.778 ' H ' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -41.14 101.77 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.875 179.973 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 88.1 tttt -97.88 -62.87 1.19 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.91 179.823 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 169.06 -160.37 33.76 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.491 179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 20.7 m-85 -65.3 158.61 25.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.936 0.398 . . . . 0.0 110.915 -179.802 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 59.9 mtt180 -138.58 145.63 40.83 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.09 -0.505 . . . . 0.0 110.864 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 36.6 tt0 -59.1 87.09 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.914 -179.905 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.53 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 23.6 m170 -109.27 164.62 12.3 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.866 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 37.3 t-105 -111.51 123.27 49.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.91 -179.941 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 t -117.14 151.44 19.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.098 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.408 HG21 ' NZ ' ' A' ' 12' ' ' LYS . 98.3 t -147.23 122.29 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.136 179.911 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.464 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.6 t80 -95.24 117.0 29.51 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.457 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.2 tptt -98.15 157.38 16.18 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.882 -179.975 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.457 ' C ' ' O ' ' A' ' 36' ' ' LYS . 5.6 mm-40 -33.16 -73.0 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.899 179.945 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.96 HG23 HG22 ' A' ' 115' ' ' THR . 2.7 p -116.44 22.34 12.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.119 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.506 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.0 OUTLIER -140.83 169.22 18.04 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.229 -0.442 . . . . 0.0 111.123 -179.984 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.506 ' H ' HG22 ' A' ' 39' ' ' THR . 3.2 tt -159.49 134.56 8.14 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.948 179.966 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 49.7 m -149.08 148.25 29.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.833 -179.917 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 9.0 p90 -132.43 165.35 24.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.895 -179.866 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.613 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 1.1 m-85 -142.41 169.4 17.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.929 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 5.9 ptmt -79.13 -37.68 37.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.921 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 21.8 m -136.07 138.48 42.16 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.805 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 32.8 tt0 -57.62 -43.87 85.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.934 -179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 28.6 t0 -50.46 -53.23 31.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.893 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 8.3 mt-10 -49.93 -63.42 1.12 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.922 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.613 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -48.28 152.81 1.42 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 111.085 179.94 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.537 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.6 Cg_endo -69.76 -45.75 0.4 Allowed 'Cis proline' 0 C--N 1.341 0.164 0 C-N-CA 122.668 -1.805 . . . . 0.0 112.3 -0.009 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.53 -99.86 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.471 -179.973 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -132.3 122.88 18.37 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.586 0.708 . . . . 0.0 110.879 -179.926 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.433 ' O ' ' C ' ' A' ' 54' ' ' ILE . 53.8 Cg_endo -69.77 117.96 5.4 Favored 'Trans proline' 0 C--O 1.232 0.212 0 C-N-CA 122.687 2.258 . . . . 0.0 112.337 -179.99 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.433 ' C ' ' O ' ' A' ' 53' ' ' PRO . 86.8 mt -34.48 -47.48 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.165 179.873 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 18.0 tp60 -161.98 107.35 1.26 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.901 179.946 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 17.8 pt20 -86.6 141.05 29.28 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.677 ' HB3' HG11 ' A' ' 81' ' ' VAL . 14.8 mt -143.11 132.07 22.9 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.944 -179.984 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 9.5 t30 -80.26 93.19 5.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.873 179.951 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.431 HD21 HD21 ' A' ' 79' ' ' LEU . 17.2 mt -42.8 -31.18 0.45 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.948 179.941 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.465 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -66.86 97.7 0.49 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.91 179.793 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -19.66 6.82 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.484 179.915 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -75.57 -175.68 2.95 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.796 0.332 . . . . 0.0 110.863 -179.895 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -110.83 157.21 20.07 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 70.8 t -136.04 129.31 47.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.158 179.976 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 21.6 t -134.52 99.91 12.76 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.605 0.717 . . . . 0.0 111.149 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.78 127.34 14.44 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.663 2.242 . . . . 0.0 112.339 179.969 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 24.5 m-20 -121.01 78.48 1.4 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.955 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CD2' ' A' ' 132' ' ' LEU . 19.5 t -103.19 123.27 56.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.152 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.413 ' O ' ' C ' ' A' ' 70' ' ' VAL . 3.3 t-20 -120.24 73.51 0.99 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.881 179.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.416 ' O ' ' C ' ' A' ' 71' ' ' SER . 85.8 t -36.65 -42.25 0.18 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.147 179.887 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.416 ' C ' ' O ' ' A' ' 70' ' ' VAL . 4.6 m -36.17 -47.18 0.55 Allowed 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.879 -179.816 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.424 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -125.06 42.37 1.54 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.732 -0.746 . . . . 0.0 112.468 179.996 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.424 ' C ' ' O ' ' A' ' 72' ' ' GLY . 21.7 mm100 36.6 48.03 0.59 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.907 0.385 . . . . 0.0 110.931 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 20.3 ttpt -97.48 117.21 31.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.516 ' CD1' HG13 ' A' ' 68' ' ' VAL . 45.6 m-85 -126.71 93.33 3.75 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.931 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 3.0 m -121.46 145.9 47.46 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.869 -179.908 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 59.6 mt -115.09 107.66 23.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.112 -179.969 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.912 ' HE3' HD21 ' A' ' 80' ' ' LEU . 35.7 tttp -81.98 106.43 13.89 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.877 179.848 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.529 ' C ' HD22 ' A' ' 80' ' ' LEU . 11.5 tp -97.63 131.08 44.53 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.913 179.894 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.912 HD21 ' HE3' ' A' ' 78' ' ' LYS . 4.1 mm? -126.24 109.75 12.66 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.677 HG11 ' HB3' ' A' ' 57' ' ' LEU . 17.9 t -120.18 121.49 29.43 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.647 0.736 . . . . 0.0 111.142 179.824 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.74 136.38 32.9 Favored 'Trans proline' 0 C--O 1.232 0.182 0 C-N-CA 122.643 2.229 . . . . 0.0 112.379 179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 2.2 m -141.26 144.21 33.53 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.696 0.76 . . . . 0.0 110.881 -179.878 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -14.38 36.0 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.695 2.263 . . . . 0.0 112.304 -179.958 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 4.1 tm-20 -88.59 -24.43 22.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.858 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 165.68 -107.93 0.31 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.469 -179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 8.8 tpt -149.68 139.93 22.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.799 0.333 . . . . 0.0 110.887 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.5 t -116.52 84.21 2.09 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.825 -179.776 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 19.9 tt0 -99.36 111.39 23.76 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.903 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.5 mp -110.35 143.58 20.07 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.177 179.965 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 29.2 m-85 -118.63 112.86 20.38 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.907 -179.948 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 3.9 mt -109.03 119.59 40.0 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.958 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 55.5 ttm-85 -111.26 113.51 26.05 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.856 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 75.7 m -84.9 166.98 16.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.878 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 46.9 mt-30 -87.86 -50.77 6.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.925 -179.91 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 7.6 m-20 -128.81 159.01 37.09 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.412 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 14.4 pt-20 -58.51 -31.2 67.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.87 -179.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 6.7 mm100 -52.08 -49.02 64.36 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.92 -179.904 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.2 tp60 -74.13 -45.56 48.05 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.92 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 13.0 t80 -50.53 -47.68 57.43 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.11 -57.9 9.37 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.059 -0.518 . . . . 0.0 111.073 179.913 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 85.7 mtt180 -47.23 -65.0 0.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.269 -0.423 . . . . 0.0 110.851 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.464 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 52.8 m95 -53.16 -66.54 0.37 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.886 -179.933 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.401 ' C ' ' O ' ' A' ' 103' ' ' TRP . 5.2 tpp -37.57 -71.51 0.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.864 179.961 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.84 -40.6 0.46 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.115 179.902 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.29 -48.47 74.14 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.467 -179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 84.5 m -58.95 -34.4 71.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.81 0.338 . . . . 0.0 110.894 -179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.3 mtp85 -68.5 -39.43 81.29 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.876 -179.862 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.443 ' C ' ' O ' ' A' ' 114' ' ' ARG . 93.6 mt -56.01 -58.84 6.2 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.888 -179.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -60.56 -34.77 74.65 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.059 179.824 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 23.8 t -45.47 -40.6 8.52 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.882 -179.777 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 55.0 mmtt -95.94 -18.51 20.23 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.939 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.465 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 125.1 -30.31 4.6 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.702 -0.761 . . . . 0.0 112.506 179.992 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.443 ' O ' ' C ' ' A' ' 109' ' ' LEU . 8.6 ptm180 -70.16 155.72 40.23 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.919 0.39 . . . . 0.0 110.877 -179.844 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.96 HG22 HG23 ' A' ' 38' ' ' THR . 1.3 p -123.87 174.29 7.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.107 -179.9 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.496 ' O ' ' N ' ' A' ' 118' ' ' ASP . 76.1 mtm -55.21 -32.98 62.66 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.923 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -37.88 -27.15 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.08 179.916 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . 0.496 ' N ' ' O ' ' A' ' 116' ' ' MET . 7.4 t70 -81.29 127.87 33.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.849 -179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.487 ' O ' HG22 ' A' ' 122' ' ' THR . 22.9 p -51.87 -35.31 44.59 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.491 ' O ' ' CB ' ' A' ' 123' ' ' SER . 9.5 t -50.2 -32.94 17.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.856 -179.856 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 2.0 t80 -40.8 -66.77 0.29 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.911 -179.835 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.487 HG22 ' O ' ' A' ' 119' ' ' SER . 5.2 t -48.42 -28.01 2.99 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.164 -179.999 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.491 ' CB ' ' O ' ' A' ' 120' ' ' SER . 1.8 t -58.75 -34.77 71.78 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.864 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 4.4 mp0 -75.17 -42.19 56.49 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.077 -0.511 . . . . 0.0 110.95 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 64.4 t -55.51 -39.83 55.7 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.147 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 18.6 mm-40 -72.88 -54.86 7.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.924 179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.96 -42.29 27.23 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.136 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 59.9 mt -59.33 -64.52 0.56 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.182 179.944 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 4.4 mp -41.93 -37.81 1.41 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.942 179.873 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -71.31 -60.85 2.01 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.095 179.81 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.696 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 31.4 t80 -42.48 -57.95 2.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.872 -179.903 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.517 ' CD2' HG11 ' A' ' 68' ' ' VAL . 95.8 mt -47.11 -44.5 21.48 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.896 -179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.9 t -62.92 -49.39 74.97 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.862 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 31.0 mt -54.04 -42.92 69.73 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.696 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 16.3 mm-40 -43.9 -50.59 8.0 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.941 179.898 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.436 ' HB3' ' NH1' ' A' ' 136' ' ' ARG . 14.7 mtp-105 -39.32 157.9 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.882 -179.946 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 86.5 m . . . . . 0 C--N 1.33 -0.262 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.117 -179.943 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.282 0 N-CA-C 112.44 -0.264 . . . . 0.0 112.44 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 78.6 p -53.97 146.16 14.96 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.87 0.367 . . . . 0.0 110.862 -179.791 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 67.2 m -140.23 161.96 36.41 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.885 -179.82 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . 0.45 ' O ' ' N ' ' A' ' 6' ' ' SER . . . 134.02 42.0 0.15 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.495 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.3 t -55.0 86.3 0.0 OUTLIER 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.915 0.388 . . . . 0.0 110.895 -179.75 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . 0.45 ' N ' ' O ' ' A' ' 4' ' ' GLY . 48.1 t -76.54 105.4 7.57 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.095 -0.502 . . . . 0.0 110.816 -179.782 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 86.8 -124.99 7.23 Favored Glycine 0 N--CA 1.451 -0.358 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.503 179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 3.3 mm -72.4 125.22 91.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.64 0.733 . . . . 0.0 111.16 179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 100.45 0.82 Allowed 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.649 2.233 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 10.7 mt-10 -120.51 143.75 48.39 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.895 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.507 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.6 mt -109.54 135.2 50.91 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.942 -179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 16.4 mmtp -120.1 109.56 15.6 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.856 179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -175.05 142.44 0.64 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.825 179.852 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.509 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.5 t-80 -100.55 112.25 24.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.884 -179.995 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 6.5 mt -88.68 -174.92 4.73 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.949 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 76.1 mtt180 -81.97 115.86 21.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.885 179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 26.0 mt -117.38 126.35 74.55 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.157 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.572 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 28.9 t80 -150.91 133.22 15.43 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.857 179.986 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 58.5 mtm180 -130.03 83.44 63.48 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.627 0.727 . . . . 0.0 110.84 -179.886 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.556 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.6 Cg_endo -69.76 -28.85 24.76 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.345 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -43.07 -54.17 4.5 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.914 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.9 tptm -106.07 118.38 36.47 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.917 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.736 ' H ' HD12 ' A' ' 23' ' ' LEU . 3.6 mp -60.79 98.41 0.07 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.945 179.906 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 62.5 p -125.63 -56.87 1.48 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.115 179.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.8 mp -120.97 170.23 9.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.931 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 34.3 mttt -80.66 -47.51 13.96 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.884 179.826 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.419 ' O ' ' C ' ' A' ' 28' ' ' TYR . . . -160.37 172.78 36.85 Favored Glycine 0 N--CA 1.452 -0.29 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.461 179.937 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.572 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 58.6 m-85 -37.17 148.7 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.357 0 CA-C-O 120.873 0.368 . . . . 0.0 110.88 -179.811 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 14.4 mtp85 -136.24 160.35 38.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.911 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 44.4 tt0 -70.28 93.8 0.87 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.881 -179.932 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.509 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 46.7 m170 -119.31 169.57 9.87 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.869 179.956 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 46.5 t-105 -110.07 138.32 46.6 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.935 -179.964 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 23.5 t -130.92 151.24 35.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.16 179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 57.7 t -145.83 122.89 4.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.132 179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 17.7 t80 -95.18 119.5 33.8 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.908 179.999 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.458 ' O ' ' C ' ' A' ' 37' ' ' GLU . 23.0 tptt -104.62 157.37 17.23 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.904 179.97 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.525 ' HB3' HG21 ' A' ' 115' ' ' THR . 45.7 mt-10 -33.21 -72.64 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.914 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.628 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.5 22.53 12.35 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.125 -179.893 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.442 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -139.48 167.79 21.28 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.15 -179.994 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.442 ' H ' HG22 ' A' ' 39' ' ' THR . 2.0 tt -159.76 133.74 7.38 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.921 179.973 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 1.4 t -142.18 154.53 44.9 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.875 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.3 p90 -141.02 138.63 33.81 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.956 -179.861 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.545 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.3 OUTLIER -123.16 165.23 17.21 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.936 -179.912 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 12.5 ptpt -73.73 -40.69 63.37 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 57.7 p -141.34 144.64 34.68 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.834 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 48.0 tt0 -53.98 -42.48 69.01 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.865 -179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 51.7 m-20 -48.14 -51.45 24.8 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.875 179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -50.59 -53.92 26.71 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.513 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -52.52 132.16 44.94 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.567 0.699 . . . . 0.0 111.088 179.945 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.513 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.74 -46.79 0.34 Allowed 'Cis proline' 0 C--N 1.341 0.163 0 C-N-CA 122.68 -1.8 . . . . 0.0 112.352 -0.048 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.19 -100.3 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.481 179.947 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 31.4 t0 -148.12 113.19 3.86 Favored Pre-proline 0 C--N 1.328 -0.337 0 CA-C-O 121.579 0.704 . . . . 0.0 110.824 -179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.498 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 53.8 Cg_endo -69.8 128.36 15.89 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.659 2.239 . . . . 0.0 112.35 -179.983 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.437 ' C ' ' O ' ' A' ' 53' ' ' PRO . 73.7 mt -34.11 -40.07 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.152 179.951 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.534 ' NE2' HD22 ' A' ' 57' ' ' LEU . 0.2 OUTLIER -174.97 114.46 0.15 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.925 179.936 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 12.5 pt20 -91.64 138.66 31.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.931 -179.96 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.852 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -144.76 145.13 31.52 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.963 179.986 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.483 ' ND2' ' HB3' ' A' ' 60' ' ' LYS . 4.1 t30 -90.82 113.93 26.2 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.883 179.942 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 32.8 mt -52.22 -42.38 63.52 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.483 ' HB3' ' ND2' ' A' ' 58' ' ' ASN . 5.1 ttpm? -57.45 107.56 0.45 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.912 179.847 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 119.99 -18.9 9.64 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.796 -0.716 . . . . 0.0 112.49 179.972 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.422 ' CB ' HG22 ' A' ' 81' ' ' VAL . 15.4 p -87.03 -175.62 5.41 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.738 0.304 . . . . 0.0 110.946 -179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.7 tp10 -124.79 162.42 24.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.61 HG13 ' O ' ' A' ' 64' ' ' VAL . 12.4 p -144.47 114.08 1.87 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.112 180.0 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 85.4 t -110.83 123.11 36.3 Favored Pre-proline 0 C--N 1.329 -0.295 0 CA-C-O 121.642 0.734 . . . . 0.0 111.124 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.8 116.57 4.63 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.681 2.254 . . . . 0.0 112.341 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.9 m-20 -115.82 31.97 6.38 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.866 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 2.9 m -81.47 148.08 5.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.129 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 8.6 m120 -134.45 96.7 3.64 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.916 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 82.7 t -54.63 -33.4 27.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.134 179.892 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 69.2 m -42.57 -45.59 4.61 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.832 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -115.77 32.71 5.54 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.498 179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 97.4 mm-40 44.13 46.18 7.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.887 0.375 . . . . 0.0 110.934 -179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 36.2 tttm -114.44 153.24 30.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.887 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 3.6 m-85 -153.56 120.04 5.54 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 7.8 t -132.36 146.98 52.36 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.902 -179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 42.0 mt -114.22 96.4 4.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.136 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 45.0 tttp -75.02 98.99 3.75 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.897 179.863 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.3 tp -94.16 128.93 40.88 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.935 179.944 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.48 HD22 ' SD ' ' A' ' 87' ' ' MET . 14.7 mt -119.89 104.81 10.5 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 179.885 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.852 HG21 HD12 ' A' ' 57' ' ' LEU . 73.8 t -106.61 125.62 32.34 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.628 0.727 . . . . 0.0 111.123 179.858 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.83 135.96 31.6 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.655 2.237 . . . . 0.0 112.319 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 6.5 p -131.94 142.56 45.58 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.69 0.757 . . . . 0.0 110.84 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.77 -3.78 12.71 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.718 2.278 . . . . 0.0 112.352 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.0 mt-10 -117.97 -2.97 11.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.877 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 158.41 -102.64 0.22 Allowed Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.457 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.48 ' SD ' HD22 ' A' ' 80' ' ' LEU . 7.0 ttm -166.54 144.36 5.21 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.756 0.312 . . . . 0.0 110.876 -179.94 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 2.8 m -113.24 81.4 1.49 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.857 -179.835 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.475 ' C ' ' CD ' ' A' ' 89' ' ' GLU . 0.1 OUTLIER -89.78 118.77 29.62 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.898 -179.991 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 35.0 mt -117.01 142.34 31.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.478 . . . . 0.0 111.157 179.945 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 21.2 m-85 -110.82 116.35 31.11 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.937 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 21.5 mt -115.1 119.53 36.75 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.918 179.966 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 4.0 tmt_? -109.51 132.58 54.01 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.884 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 85.4 m -105.41 148.44 27.13 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.893 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 63.2 tt0 -61.39 -57.21 13.15 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.91 -179.875 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 28.3 t0 -129.63 178.62 6.35 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.829 179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.8 pt-20 -69.04 -32.76 72.49 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.916 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 33.0 mm-40 -48.88 -54.31 15.88 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.92 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 36.9 tt0 -69.48 -44.8 70.41 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.943 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 21.0 t80 -49.37 -59.69 3.49 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.953 -179.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -46.6 -42.64 16.41 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.112 -0.494 . . . . 0.0 111.107 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 45.3 mtt85 -63.06 -67.0 0.46 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.858 -179.898 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 30.4 m95 -55.71 -59.86 4.26 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.947 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 17.2 tpp -44.62 -64.25 0.73 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.913 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.9 -35.05 0.18 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.08 179.909 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.06 -53.42 14.67 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.5 -179.953 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.4 m -54.05 -35.85 62.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.814 0.34 . . . . 0.0 110.905 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.1 mtp85 -68.7 -37.08 79.27 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.86 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.628 HD11 ' HA ' ' A' ' 121' ' ' TYR . 21.9 mt -69.38 -51.57 35.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.955 179.976 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -65.15 -32.68 74.5 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.792 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 41.4 t -47.23 -43.06 21.45 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.875 -179.799 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 57.2 mmtt -94.54 -30.59 14.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.886 179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 144.06 -25.11 2.07 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.492 179.939 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.407 ' O ' ' C ' ' A' ' 109' ' ' LEU . 96.0 mtt180 -65.51 152.78 43.19 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.834 0.349 . . . . 0.0 110.891 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.628 HG22 HG23 ' A' ' 38' ' ' THR . 21.7 p -134.09 162.3 32.47 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.146 -179.93 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.419 ' HG2' ' CD1' ' A' ' 121' ' ' TYR . 49.0 mtm -42.05 -34.61 0.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.855 179.878 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.41 -42.16 4.57 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.13 179.883 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 10.5 t70 -65.9 147.02 54.03 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.819 -179.968 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 22.2 p -74.82 -2.37 26.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.886 -179.781 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 6.1 t -79.76 -19.19 49.28 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.075 -0.511 . . . . 0.0 110.89 -179.847 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.628 ' HA ' HD11 ' A' ' 109' ' ' LEU . 10.4 t80 -50.88 -48.31 60.32 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.911 -179.866 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 5.6 t -66.31 -31.58 72.46 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.12 -179.961 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.4 t -56.4 -25.04 48.67 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.87 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.431 ' O ' HD12 ' A' ' 128' ' ' ILE . 27.3 mt-10 -86.31 -40.22 15.7 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.865 -179.952 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 45.5 t -60.52 -38.44 78.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.113 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 33.1 mm-40 -72.73 -61.81 1.67 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.932 179.994 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -46.31 -42.22 14.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.053 179.971 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.431 HD12 ' O ' ' A' ' 124' ' ' GLU . 60.3 mt -64.44 -58.18 8.31 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.343 0 CA-C-N 116.242 -0.435 . . . . 0.0 111.138 179.969 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.3 mt -46.61 -43.5 17.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.913 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.417 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -69.45 -64.47 0.87 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.13 179.8 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.417 ' C ' ' O ' ' A' ' 130' ' ' ALA . 53.3 t80 -37.25 -51.69 1.04 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.915 -179.92 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 48.2 mt -50.59 -47.84 57.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.899 -179.982 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -54.95 -47.82 73.99 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.869 -179.925 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 34.8 mt -53.47 -38.83 63.97 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.886 -179.981 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 9.8 mm-40 -49.57 -51.66 35.45 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.917 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 20.6 ptt180 -78.71 151.08 32.35 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.865 -179.881 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 17.7 p . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.147 -179.884 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.321 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 m -133.42 173.12 11.82 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.861 0.362 . . . . 0.0 110.897 -179.755 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 93.5 p -129.18 171.25 12.61 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.863 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -94.28 -131.06 6.05 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.527 179.979 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 47.3 t -113.36 82.27 1.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.848 0.356 . . . . 0.0 110.814 -179.712 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 7.1 t -108.95 159.71 16.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.864 -179.817 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -60.75 -130.52 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.524 -179.994 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 6.0 mt -61.05 126.66 86.43 Favored Pre-proline 0 C--N 1.328 -0.342 0 CA-C-O 121.6 0.714 . . . . 0.0 111.128 -179.974 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 118.14 5.5 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.686 2.257 . . . . 0.0 112.387 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 70.9 mt-10 -136.91 138.91 41.17 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.891 179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 2.6 mt -96.36 143.55 27.31 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.406 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 11.4 mmmt -131.77 105.78 7.7 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.867 179.863 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.406 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 5.7 m-20 -171.07 147.29 2.57 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.884 179.882 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.545 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 11.4 t-80 -103.7 110.4 22.46 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.911 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.1 mt -87.81 -174.57 4.8 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.893 -179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.414 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 11.6 mmp_? -81.82 115.6 21.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.872 179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 42.7 mt -114.58 124.41 71.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.168 179.945 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.482 ' CZ ' ' HB3' ' A' ' 20' ' ' PRO . 12.4 t80 -133.79 132.07 40.05 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.853 -179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 49.4 mmm-85 -129.1 90.91 43.92 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.584 0.707 . . . . 0.0 110.903 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 53.8 Cg_endo -69.78 2.82 3.2 Favored 'Trans proline' 0 C--O 1.231 0.167 0 C-N-CA 122.645 2.23 . . . . 0.0 112.354 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 16.3 tpp180 -66.3 -48.28 70.86 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.899 179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.405 ' HB2' ' NZ ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -63.89 152.51 39.57 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.879 179.965 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.7 tp -71.54 -53.25 14.41 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.946 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 97.2 m -59.28 117.67 5.05 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.132 179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 35.3 mt -76.48 124.36 27.46 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.218 -0.447 . . . . 0.0 110.959 179.931 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 39.0 mtpt -130.43 -51.67 1.09 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.902 179.852 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.23 -92.22 0.96 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.488 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.434 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 42.1 m-85 -138.4 140.61 39.44 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.916 0.388 . . . . 0.0 110.915 -179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.542 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 5.7 ttp180 -128.5 156.74 42.78 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.83 -179.955 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 40.1 tt0 -66.4 97.93 0.45 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.933 -179.94 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.545 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 11.7 m170 -122.51 169.81 10.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.881 -179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 50.8 t-105 -114.83 127.99 56.04 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.908 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.4 HG12 ' N ' ' A' ' 34' ' ' VAL . 92.6 t -121.92 152.52 25.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.092 179.962 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . 0.4 ' N ' HG12 ' A' ' 33' ' ' VAL . 97.0 t -149.27 126.09 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.127 179.934 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.583 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.2 t80 -95.27 128.31 42.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.864 -179.944 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.485 ' O ' ' C ' ' A' ' 37' ' ' GLU . 24.1 tptp -110.53 157.82 19.22 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.862 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.485 ' C ' ' O ' ' A' ' 36' ' ' LYS . 30.3 mt-10 -30.9 -61.66 0.18 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.507 HG23 HG22 ' A' ' 115' ' ' THR . 1.1 p -130.52 14.4 5.48 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.134 -179.883 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -126.8 163.78 22.81 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.161 -179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.404 HD12 HD11 ' A' ' 59' ' ' LEU . 3.8 tt -154.02 131.82 11.57 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.93 179.98 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 19.3 m -149.37 169.96 19.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.815 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.449 ' N ' ' CD1' ' A' ' 42' ' ' TYR . 1.0 OUTLIER -152.32 167.63 28.02 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.916 -179.861 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.575 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -144.16 160.02 41.65 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.931 -179.948 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.602 ' N ' HD11 ' A' ' 54' ' ' ILE . 42.1 mtmt -55.91 -34.7 65.83 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.887 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 54.2 p -154.67 153.26 31.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.846 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 12.9 tm0? -58.01 -38.65 76.56 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.897 -179.964 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 21.8 t70 -59.94 -52.94 63.28 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.838 179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 5.5 mm-40 -41.91 -53.61 3.74 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.899 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.549 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -58.88 150.92 57.41 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.575 0.703 . . . . 0.0 111.072 179.937 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.549 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.72 -47.41 0.31 Allowed 'Cis proline' 0 C--N 1.341 0.15 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.321 -0.028 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.438 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.25 -95.4 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.697 -0.763 . . . . 0.0 112.515 179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.453 ' N ' ' O ' ' A' ' 50' ' ' PRO . 19.2 t70 -150.15 122.11 4.12 Favored Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.645 0.736 . . . . 0.0 110.858 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.82 132.84 24.08 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.662 2.242 . . . . 0.0 112.341 -179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.602 HD11 ' N ' ' A' ' 44' ' ' LYS . 41.5 mt -50.24 -36.44 12.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.107 179.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.693 ' OE1' HD11 ' A' ' 57' ' ' LEU . 4.5 tm0? -175.0 139.72 0.5 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.868 179.914 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 29.4 mt-30 -125.09 140.4 52.93 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.939 -179.97 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.693 HD11 ' OE1' ' A' ' 55' ' ' GLN . 0.5 OUTLIER -138.64 146.58 41.85 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.886 -179.922 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 15.3 p-10 -86.73 105.86 17.25 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.86 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.537 ' CD2' HD21 ' A' ' 79' ' ' LEU . 57.8 mt -53.85 -21.07 6.81 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.867 179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -65.28 99.19 0.37 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.852 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 123.48 -35.04 3.44 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.514 179.927 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 6.6 p -52.96 177.13 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.336 0 CA-C-O 120.78 0.324 . . . . 0.0 110.873 -179.898 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -116.04 154.93 29.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.834 -179.818 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 47.6 t -120.32 120.15 61.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.249 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.113 179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.412 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 16.5 t -122.96 94.77 46.97 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.605 0.716 . . . . 0.0 111.159 179.905 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.412 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.74 102.75 1.06 Allowed 'Trans proline' 0 C--O 1.231 0.16 0 C-N-CA 122.685 2.257 . . . . 0.0 112.382 179.963 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -104.98 34.61 3.12 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.899 179.922 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.53 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 6.7 m -73.36 146.11 10.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.152 179.979 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 -130.7 88.52 2.63 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.906 -179.991 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 87.5 t -50.8 -37.3 15.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.123 179.901 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 4.1 m -46.3 -41.4 13.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.837 -179.816 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -114.59 32.37 5.9 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.458 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 53.1 mm-40 40.26 44.96 1.69 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.833 0.349 . . . . 0.0 110.885 -179.918 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.428 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 39.3 tttt -117.06 146.81 42.86 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.926 179.928 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.483 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 1.0 OUTLIER -146.34 121.53 10.17 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.875 179.996 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.0 t -128.23 149.05 50.63 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.893 -179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 27.0 mt -128.64 94.42 2.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.15 179.981 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 12.5 ttmt -74.42 113.33 11.53 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.897 179.836 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.537 HD21 ' CD2' ' A' ' 59' ' ' LEU . 10.4 tp -98.13 109.02 21.85 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.896 179.91 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 18.4 mt -103.22 115.28 30.27 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.928 179.868 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 46.2 t -117.34 116.31 37.33 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.646 0.736 . . . . 0.0 111.141 179.843 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.72 139.16 39.66 Favored 'Trans proline' 0 C--N 1.341 0.144 0 C-N-CA 122.726 2.284 . . . . 0.0 112.294 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 74.7 m -139.12 147.34 53.06 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.683 0.754 . . . . 0.0 110.859 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -16.85 37.69 Favored 'Trans proline' 0 C--N 1.341 0.156 0 C-N-CA 122.646 2.231 . . . . 0.0 112.363 179.963 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 6.7 pt-20 -92.88 -30.16 15.56 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.9 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 178.55 -134.91 2.48 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.488 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -136.57 130.23 32.06 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.733 0.301 . . . . 0.0 110.919 -179.997 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.0 m -124.67 118.0 25.5 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.891 -179.797 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.589 ' OE2' ' CE2' ' A' ' 91' ' ' TYR . 1.8 pp20? -117.13 156.5 27.52 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.885 -179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 84.0 mt -140.5 123.22 16.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.149 -179.989 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . 0.589 ' CE2' ' OE2' ' A' ' 89' ' ' GLU . 39.0 m-85 -97.64 124.02 41.77 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.957 -179.981 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 14.9 mt -123.16 115.44 21.78 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.891 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 68.5 ttt180 -109.76 114.12 27.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.895 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 94.0 m -80.2 174.88 11.16 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.869 -179.955 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 18.2 pt20 -92.41 -53.05 4.38 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.934 -179.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 1.3 m-20 -128.03 168.49 15.25 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.85 179.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -58.92 -29.67 67.25 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.876 -179.902 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 56.1 mm-40 -55.79 -49.8 72.22 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 -179.952 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 18.8 tt0 -71.44 -46.63 59.51 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.931 -179.958 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.53 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 7.4 t80 -48.53 -57.12 6.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.923 -179.87 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.26 -58.98 5.32 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.086 179.89 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 80.4 mtt180 -41.76 -63.85 0.66 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.853 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.583 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 65.7 m95 -61.41 -64.24 1.01 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.95 179.991 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.409 ' C ' ' O ' ' A' ' 103' ' ' TRP . 12.4 tpp -37.72 -66.26 0.26 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.901 179.927 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -42.63 -36.23 1.34 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.14 179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -67.18 -55.52 15.73 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.481 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 72.3 m -56.58 -40.45 75.26 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.839 0.352 . . . . 0.0 110.909 -179.895 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 58.5 mtp180 -57.83 -32.99 68.15 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.885 -179.883 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.61 HD13 ' HA ' ' A' ' 116' ' ' MET . 18.5 mt -73.45 -56.06 5.54 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.921 179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -57.57 -36.57 71.86 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.07 179.811 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 30.4 t -43.33 -48.58 6.9 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.841 -179.742 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 60.0 mmtt -89.46 -8.92 51.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.881 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 112.11 -8.1 27.12 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.452 179.934 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 67.2 mtt180 -75.49 149.71 38.37 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.894 0.378 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.507 HG22 HG23 ' A' ' 38' ' ' THR . 63.3 p -101.55 164.9 11.52 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.17 -179.945 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.61 ' HA ' HD13 ' A' ' 109' ' ' LEU . 16.3 ttp -78.73 -20.19 50.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.849 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -56.82 -42.81 80.25 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.069 179.948 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 11.3 t0 -54.28 142.0 27.83 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.886 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.477 ' O ' HG22 ' A' ' 122' ' ' THR . 2.6 m -54.58 -36.86 64.83 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.887 -179.795 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 8.3 t -46.03 -29.71 1.57 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.877 -179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.49 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.0 t80 -45.89 -53.88 9.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.969 -179.885 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.477 HG22 ' O ' ' A' ' 119' ' ' SER . 4.7 t -57.5 -35.94 70.88 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.112 -0.495 . . . . 0.0 111.12 -179.984 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.8 t -50.15 -33.17 18.12 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.848 -179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.2 OUTLIER -78.09 -53.06 7.81 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.905 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 40.5 t -45.43 -40.23 2.73 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.132 -0.485 . . . . 0.0 111.115 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 30.1 mm-40 -71.38 -62.37 1.43 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.889 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -44.1 -36.06 2.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.101 179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 67.0 mt -70.17 -60.13 2.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.127 -179.971 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 35.8 mt -43.26 -49.49 6.7 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.958 179.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -63.78 -62.53 1.59 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.083 179.805 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.489 ' HA ' HD12 ' A' ' 134' ' ' LEU . 51.7 t80 -38.17 -51.19 1.44 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.903 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 26.5 mt -51.85 -51.89 53.36 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.972 179.965 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.1 t -54.02 -45.33 71.52 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.841 -179.938 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.489 HD12 ' HA ' ' A' ' 131' ' ' PHE . 53.7 mt -50.09 -45.76 52.94 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.91 -179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 18.5 mm-40 -44.91 -59.39 2.58 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.906 179.882 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 5.5 ptp180 -74.25 175.85 7.2 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.874 -179.888 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.8 m . . . . . 0 C--N 1.33 -0.274 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.164 -179.908 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.272 0 N-CA-C 112.484 -0.246 . . . . 0.0 112.484 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.4 t 59.84 44.01 14.35 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.86 0.362 . . . . 0.0 110.85 -179.747 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 33.1 t -109.95 115.46 29.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.834 -179.797 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 91.85 79.42 1.4 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.464 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 76.4 p -102.73 86.97 2.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.908 0.385 . . . . 0.0 110.847 -179.741 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 9.6 t -54.25 -47.81 71.86 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.876 -179.832 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.13 -153.51 7.78 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.493 -179.995 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.614 HG21 ' HE3' ' A' ' 36' ' ' LYS . 30.1 mm -42.08 103.43 0.31 Allowed Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.651 0.739 . . . . 0.0 111.134 180.0 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.5 Cg_endo -69.77 106.47 1.67 Allowed 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.664 2.243 . . . . 0.0 112.311 179.917 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.576 ' HG3' HG22 ' A' ' 8' ' ' ILE . 8.0 mt-10 -122.49 158.82 28.96 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.45 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.7 mt -106.16 153.53 21.97 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.868 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.43 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 14.5 mmtp -138.01 106.52 5.84 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 179.79 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.43 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.2 m-20 -174.8 148.04 1.06 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.847 179.901 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.591 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.7 t-80 -104.41 113.57 27.22 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.868 179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.422 HD22 ' SG ' ' A' ' 94' ' ' CYS . 5.2 mt -88.01 -174.99 4.93 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.934 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.439 ' HB3' ' CE2' ' A' ' 28' ' ' TYR . 64.6 mmt-85 -82.05 115.69 21.3 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.858 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 70.0 mt -113.9 127.31 71.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.098 179.99 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.454 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 27.2 t80 -138.89 136.02 35.08 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.882 179.959 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 41.3 mmm-85 -134.12 86.95 35.47 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.624 0.726 . . . . 0.0 110.867 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.482 ' O ' ' N ' ' A' ' 22' ' ' LYS . 53.7 Cg_endo -69.8 3.22 2.91 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.627 2.218 . . . . 0.0 112.351 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.476 ' O ' HD23 ' A' ' 23' ' ' LEU . 17.7 tpt180 -57.72 80.83 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.86 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.482 ' N ' ' O ' ' A' ' 20' ' ' PRO . 23.8 mmtm 60.41 25.35 14.91 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.91 179.944 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.476 HD23 ' O ' ' A' ' 21' ' ' ARG . 3.7 mm? -122.31 134.78 54.65 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.927 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -113.12 89.77 3.17 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.111 179.949 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 12.0 mt -100.09 -44.43 6.0 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.905 179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 13.4 tptm 70.0 46.07 0.67 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.904 179.84 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.559 ' C ' ' CD1' ' A' ' 28' ' ' TYR . . . 157.85 -128.55 2.13 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.511 179.956 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.559 ' CD1' ' C ' ' A' ' 27' ' ' GLY . 45.7 m-85 -155.21 153.47 30.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.368 . . . . 0.0 110.952 -179.8 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.428 ' HB3' ' CD2' ' A' ' 31' ' ' HIS . 31.5 mtm180 -101.37 176.85 5.1 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.879 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 53.3 tt0 -104.44 91.58 3.95 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.911 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.591 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 9.1 m170 -117.26 168.23 10.51 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.897 179.983 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 64.9 t-105 -109.85 130.83 55.48 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.883 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 16.2 t -122.4 145.77 28.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.097 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 63.4 t -139.57 122.39 17.5 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.105 179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.58 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 24.5 t80 -95.23 127.35 41.21 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.614 ' HE3' HG21 ' A' ' 8' ' ' ILE . 14.8 tptm -113.1 157.49 21.55 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.934 179.926 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 16.0 mt-10 -32.44 -74.57 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.923 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.561 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -117.01 24.65 11.05 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.126 -179.943 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.561 HG22 ' N ' ' A' ' 40' ' ' LEU . 8.1 m -141.75 168.14 20.47 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.112 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.739 HD12 HD11 ' A' ' 59' ' ' LEU . 2.2 tt -155.38 139.53 16.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.906 179.967 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.443 ' N ' HD23 ' A' ' 40' ' ' LEU . 75.6 m -149.35 156.7 42.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.869 -179.924 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.0 p90 -152.16 152.1 31.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.909 -179.87 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.569 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -128.21 160.05 33.3 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.95 -179.918 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 29.5 mtmm -60.37 -36.48 78.13 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.918 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.1 t -149.14 135.48 19.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.836 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 0.9 OUTLIER -44.7 -46.95 10.6 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.918 -179.997 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -46.2 -53.53 10.39 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.871 179.971 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 15.3 mt-10 -44.59 -58.05 3.26 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.874 -179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.547 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.95 151.2 4.66 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.593 0.711 . . . . 0.0 111.07 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.547 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.73 -48.28 0.28 Allowed 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.665 -1.806 . . . . 0.0 112.329 -0.033 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.434 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.49 -102.2 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.703 -0.76 . . . . 0.0 112.521 -179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 5.9 t70 -147.32 124.9 5.86 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.631 0.729 . . . . 0.0 110.884 -179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 134.93 29.17 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.69 2.26 . . . . 0.0 112.356 -179.939 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 29.2 mt -43.78 -53.17 1.17 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.222 -0.444 . . . . 0.0 111.117 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.416 ' O ' HD23 ' A' ' 57' ' ' LEU . 4.9 mt-30 -146.61 109.32 4.58 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.874 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 10.2 pt20 -92.46 122.02 34.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.893 -179.962 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.755 HD12 HG21 ' A' ' 81' ' ' VAL . 0.3 OUTLIER -141.99 153.63 44.42 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.939 179.981 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 6.0 p-10 -98.47 106.65 18.96 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 179.905 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.739 HD11 HD12 ' A' ' 40' ' ' LEU . 32.8 mt -38.45 -41.65 0.67 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.948 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 23.9 tttt -42.54 120.5 1.71 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.9 179.814 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 104.5 -36.54 4.31 Favored Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.499 179.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.527 ' CB ' HG22 ' A' ' 81' ' ' VAL . 11.1 p -61.49 173.88 0.85 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.787 0.327 . . . . 0.0 110.9 -179.866 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.7 tp10 -115.71 151.0 35.91 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.884 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 64' ' ' VAL . 7.5 p -134.17 120.27 34.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.117 179.992 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 53.3 t -119.69 125.93 27.19 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.613 0.72 . . . . 0.0 111.125 179.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 124.67 11.32 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.688 2.259 . . . . 0.0 112.343 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 12.7 m-20 -127.21 33.65 4.85 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.905 179.937 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.467 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 2.3 m -85.78 146.71 6.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.158 179.996 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 4.9 t-20 -132.57 75.8 1.65 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.908 179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 55.0 t -37.17 -43.7 0.24 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.145 179.915 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 46.4 m -39.9 -48.11 2.27 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.897 -179.856 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.435 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -109.01 40.52 2.52 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.506 179.989 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.435 ' C ' ' O ' ' A' ' 72' ' ' GLY . 18.5 mm-40 34.84 52.4 0.58 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.839 0.352 . . . . 0.0 110.916 -179.824 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.546 ' C ' ' CD1' ' A' ' 75' ' ' PHE . 32.9 ttpt -122.55 153.88 38.65 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.873 179.965 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.546 ' CD1' ' C ' ' A' ' 74' ' ' LYS . 1.5 m-85 -158.26 112.46 2.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.924 179.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 4.5 t -127.78 141.21 51.64 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.895 -179.935 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 41.5 mt -111.7 100.62 11.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.124 -179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 48.1 tttt -72.41 103.43 3.46 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.938 179.816 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.639 HD21 HD21 ' A' ' 59' ' ' LEU . 10.6 tp -98.72 133.14 43.47 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 10.1 mt -134.64 98.92 4.19 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.886 179.888 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.755 HG21 HD12 ' A' ' 57' ' ' LEU . 59.8 t -98.98 122.21 53.3 Favored Pre-proline 0 C--N 1.329 -0.318 0 CA-C-O 121.637 0.732 . . . . 0.0 111.128 179.833 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.7 147.73 63.92 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.669 2.246 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 69.1 m -151.52 143.01 15.7 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.654 0.74 . . . . 0.0 110.832 -179.809 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -1.42 8.44 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.685 2.256 . . . . 0.0 112.328 179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -108.64 -24.1 11.51 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.907 -179.981 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 172.41 -136.19 3.68 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.505 -179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 9.5 tpt -136.46 128.79 30.07 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 120.769 0.319 . . . . 0.0 110.829 -179.979 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 8.7 t -102.99 98.19 8.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.85 -179.83 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 20.2 tt0 -104.11 117.37 34.1 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.845 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 39.0 mt -122.48 135.49 62.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.171 179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.6 m-85 -105.1 115.51 30.39 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.938 -179.951 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 49.5 mt -112.13 122.48 47.87 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.911 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.7 tpp85 -122.24 124.41 43.73 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.869 179.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.422 ' SG ' HD22 ' A' ' 15' ' ' LEU . 81.6 m -92.46 169.69 10.35 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.92 -179.98 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.1 tt0 -85.49 -41.13 15.62 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.946 -179.886 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 62.0 m-20 -132.29 176.2 8.61 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.841 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.453 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.3 OUTLIER -73.21 -29.3 62.71 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.855 -179.9 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.453 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 18.4 mm-40 -55.33 -61.82 2.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.872 -179.913 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 12.5 tp60 -59.18 -37.54 77.63 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.936 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.467 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 6.1 t80 -59.03 -67.51 0.36 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.914 -179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -39.08 -48.19 1.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.096 -0.502 . . . . 0.0 111.121 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 93.8 mtt180 -52.89 -65.92 0.47 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.847 -179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.58 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 57.0 m95 -55.88 -56.71 17.43 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.942 -179.936 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 7.2 tpp -41.54 -64.55 0.55 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.853 179.918 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -46.62 -30.77 2.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.077 179.974 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -68.24 -52.55 26.57 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.701 -0.761 . . . . 0.0 112.502 -179.986 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 62.8 m -61.6 -37.29 83.36 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.811 0.339 . . . . 0.0 110.878 -179.863 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 56.5 mtp85 -61.32 -37.93 85.04 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.923 -179.895 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.494 HD11 ' HA ' ' A' ' 121' ' ' TYR . 56.4 mt -70.2 -54.16 14.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.888 -179.987 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -58.8 -43.47 90.55 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.079 179.804 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 20.3 t -40.75 -42.89 1.87 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.854 -179.789 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 30.1 mmtp -96.76 -22.32 17.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.866 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 134.11 -36.62 2.08 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.457 179.906 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.464 ' HB3' HD22 ' A' ' 109' ' ' LEU . 75.5 mtm180 -49.48 160.48 0.26 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.887 0.375 . . . . 0.0 110.864 -179.873 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.561 HG22 HG23 ' A' ' 38' ' ' THR . 21.0 p -134.27 -175.01 3.72 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.187 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 42.4 mtm -83.38 18.81 1.69 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.824 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -123.25 13.94 9.65 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.086 179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 38.0 t0 -94.4 27.15 3.06 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.912 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 42.7 t 38.43 31.74 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.864 -179.767 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.439 ' O ' ' N ' ' A' ' 123' ' ' SER . 16.8 m -134.02 -33.75 1.02 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.852 -179.859 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.494 ' HA ' HD11 ' A' ' 109' ' ' LEU . 3.7 t80 -38.19 -61.26 0.69 Allowed 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.898 -179.831 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 13.7 t -49.59 -34.22 17.29 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 -179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.439 ' N ' ' O ' ' A' ' 120' ' ' SER . 1.5 t -53.75 -38.12 64.09 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.838 -179.849 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.6 mm-40 -71.39 -53.92 12.44 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.907 -179.947 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 94.6 t -43.46 -42.18 1.46 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.111 179.978 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 25.3 mm-40 -67.54 -58.11 5.29 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.929 179.983 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -48.55 -45.44 37.63 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.069 179.91 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.412 ' O ' ' C ' ' A' ' 129' ' ' LEU . 71.1 mt -55.41 -62.51 0.78 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.412 ' C ' ' O ' ' A' ' 128' ' ' ILE . 47.7 mt -37.06 -43.63 0.48 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.945 179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -74.65 -61.17 1.97 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.079 179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 44.9 t80 -38.92 -47.68 1.47 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.885 -179.919 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 64.0 mt -49.3 -47.44 46.98 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.935 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.3 t -52.84 -35.1 56.81 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.858 -179.917 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 39.8 mt -70.48 -42.97 70.69 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 32.5 mt-30 -46.09 -63.68 0.93 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.916 179.891 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.4 ptt180 -64.13 146.62 53.91 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.887 -179.949 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 13.2 p . . . . . 0 C--N 1.33 -0.277 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.15 -179.93 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.32 0 N-CA-C 112.485 -0.246 . . . . 0.0 112.485 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 11.8 t 51.15 46.4 26.48 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.893 0.378 . . . . 0.0 110.845 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.3 t -121.52 111.36 17.16 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.87 -179.81 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 82.59 149.41 8.05 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.541 -179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.6 t -152.7 150.42 29.43 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.852 0.358 . . . . 0.0 110.863 -179.71 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.5 m -122.53 172.49 8.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.906 -179.829 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -61.86 177.21 5.29 Favored Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.481 -179.991 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.679 HG22 ' HG3' ' A' ' 10' ' ' GLU . 35.3 mm -36.37 102.86 0.24 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.591 0.71 . . . . 0.0 111.18 179.99 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.415 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.8 Cg_endo -69.76 103.16 1.12 Allowed 'Trans proline' 0 C--N 1.341 0.153 0 C-N-CA 122.657 2.238 . . . . 0.0 112.361 179.89 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.679 ' HG3' HG22 ' A' ' 8' ' ' ILE . 31.2 mt-10 -120.78 138.1 54.19 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.445 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -95.95 137.2 35.35 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.873 -179.927 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.439 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 34.1 mmtm -122.73 109.0 13.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 179.815 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.439 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 4.4 m-20 -175.01 144.26 0.75 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.91 179.914 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.549 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.11 114.76 29.17 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.883 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' SG ' ' A' ' 94' ' ' CYS . 4.3 mt -89.7 -174.83 4.45 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 0.4 OUTLIER -81.92 115.65 21.2 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.909 179.889 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 49.3 mt -114.33 127.11 71.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.128 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.49 ' CD1' ' C ' ' A' ' 18' ' ' PHE . 0.8 OUTLIER -150.65 136.18 18.01 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.884 179.943 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 43.0 mtm180 -129.81 129.44 23.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.638 0.732 . . . . 0.0 110.922 -179.956 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.78 -14.24 35.75 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.695 2.263 . . . . 0.0 112.341 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 22.1 mtp85 -44.54 169.16 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.852 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 1.0 OUTLIER -70.27 167.55 17.75 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.915 179.943 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 6.8 tp 63.96 52.38 2.1 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.925 179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.658 ' O ' HG23 ' A' ' 24' ' ' THR . 9.7 t -128.67 84.53 2.24 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.161 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 3.4 tt -53.15 -56.82 13.37 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.869 179.999 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 2.7 tmtt? -117.66 -60.61 1.79 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 127.52 -88.7 0.33 Allowed Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.502 179.949 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' CE1' ' CB ' ' A' ' 18' ' ' PHE . 51.8 m-85 -64.46 130.63 44.47 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.878 0.37 . . . . 0.0 110.869 -179.762 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 90.7 mtt180 -146.27 168.99 19.71 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.885 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 39.0 tt0 -79.87 106.63 12.04 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.882 -179.897 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.549 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 14.5 m-70 -130.32 170.21 14.44 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.859 179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 31.9 t-105 -108.16 131.01 55.09 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.945 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 39.9 t -128.69 148.23 33.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.238 -0.437 . . . . 0.0 111.113 179.933 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 75.2 t -143.52 123.48 9.05 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.259 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.121 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.584 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 19.0 t80 -95.04 133.17 39.11 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.885 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 16.2 tptm -119.13 157.67 27.44 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.876 179.998 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 38.8 mt-10 -32.8 -75.29 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.935 179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.483 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.5 24.53 11.51 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.146 -179.907 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.614 HG22 ' N ' ' A' ' 40' ' ' LEU . 30.0 m -141.79 166.43 24.76 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.132 -179.944 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.614 ' N ' HG22 ' A' ' 39' ' ' THR . 5.6 tt -162.03 134.6 5.85 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.917 179.941 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.555 ' N ' HD23 ' A' ' 40' ' ' LEU . 54.6 m -149.39 157.08 43.0 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.84 -179.936 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.647 ' C ' ' CD1' ' A' ' 43' ' ' TYR . 3.0 p90 -133.34 172.23 12.98 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.955 -179.911 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.647 ' CD1' ' C ' ' A' ' 42' ' ' TYR . 0.4 OUTLIER -149.26 162.15 40.61 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.923 -179.921 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.458 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.2 ptmm? -94.76 -34.74 12.4 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.929 179.863 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 2.6 m -124.59 113.92 18.7 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.819 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.426 ' CD ' ' O ' ' A' ' 46' ' ' GLN . 5.8 tm0? -48.04 -19.52 0.26 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.875 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 16.8 m-20 -79.27 -34.88 42.19 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.857 179.976 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.427 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -58.98 -28.23 66.15 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.883 -179.862 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.767 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -100.83 163.79 17.37 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.544 0.688 . . . . 0.0 111.112 179.919 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.767 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.7 Cg_endo -69.75 -0.25 6.07 Favored 'Cis proline' 0 C--N 1.341 0.144 0 C-N-CA 122.642 -1.816 . . . . 0.0 112.343 -0.008 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.592 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . -19.96 -92.04 0.01 OUTLIER Glycine 0 N--CA 1.45 -0.377 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.49 179.992 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -146.22 128.73 7.9 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.582 0.706 . . . . 0.0 110.829 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.541 ' HA ' ' CD2' ' A' ' 43' ' ' TYR . 54.0 Cg_endo -69.77 153.56 68.73 Favored 'Trans proline' 0 C--O 1.232 0.178 0 C-N-CA 122.692 2.262 . . . . 0.0 112.353 -179.976 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.458 HD11 ' HB3' ' A' ' 44' ' ' LYS . 92.3 mt -61.4 -44.45 98.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.099 179.924 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.598 ' NE2' HD21 ' A' ' 57' ' ' LEU . 7.6 tt0 -160.24 108.89 1.7 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.859 179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 5.3 pt20 -86.41 138.79 31.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.854 -179.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.598 HD21 ' NE2' ' A' ' 55' ' ' GLN . 1.3 mt -141.18 129.23 22.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.909 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.448 ' OD1' ' CB ' ' A' ' 60' ' ' LYS . 30.4 t-20 -82.46 108.96 16.27 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.908 179.92 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 79.0 mt -51.76 -35.28 42.98 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.917 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.454 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.5 OUTLIER -61.18 99.6 0.1 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.89 179.825 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 125.07 -27.42 5.36 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.728 -0.749 . . . . 0.0 112.468 179.923 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.2 p -74.89 -179.29 4.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.72 0.295 . . . . 0.0 110.942 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 4.4 tp10 -107.66 154.17 21.85 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.927 -179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 53.1 t -131.55 119.67 43.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.159 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 6.3 t -115.85 94.75 42.08 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.632 0.73 . . . . 0.0 111.136 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 119.36 6.32 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.701 2.267 . . . . 0.0 112.355 179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 1.2 m-20 -118.38 82.45 1.85 Allowed 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.862 179.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.1 t -106.37 125.57 62.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.09 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 24.1 t-20 -119.11 73.38 0.93 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.856 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 97.0 t -40.95 -35.19 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 49.5 m -42.92 -41.82 3.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.827 -179.848 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.421 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -123.59 40.96 1.85 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.504 -179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.421 ' C ' ' O ' ' A' ' 72' ' ' GLY . 33.7 mm-40 36.82 47.75 0.6 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.9 0.381 . . . . 0.0 110.901 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 34.6 ttpt -103.41 153.02 20.94 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.474 ' CZ ' ' HB3' ' A' ' 97' ' ' GLU . 48.8 m-85 -156.02 106.82 2.45 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.863 179.978 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.1 t -123.97 144.03 50.05 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.851 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 30.0 mt -121.82 104.69 15.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.1 -179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.63 ' O ' HD12 ' A' ' 79' ' ' LEU . 26.3 tttt -78.97 139.14 38.29 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 179.842 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.63 HD12 ' O ' ' A' ' 78' ' ' LYS . 6.2 mp -124.85 110.85 14.79 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.956 179.9 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 36.3 mt -111.21 97.12 6.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.911 179.911 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.591 HG11 ' HB3' ' A' ' 57' ' ' LEU . 41.1 t -105.48 102.83 39.84 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.65 0.738 . . . . 0.0 111.109 179.844 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 133.11 24.78 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.687 2.258 . . . . 0.0 112.36 179.935 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 47.9 m -127.57 154.61 77.59 Favored Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.671 0.748 . . . . 0.0 110.857 -179.841 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.74 -0.32 6.73 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.693 2.262 . . . . 0.0 112.369 179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 13.7 pt-20 -113.15 -35.13 5.47 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.943 -180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -170.29 -133.13 1.56 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.484 -179.955 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 7.3 tpt -148.1 124.07 10.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.835 0.35 . . . . 0.0 110.829 -179.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 15.1 t -104.28 92.51 4.38 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.855 -179.798 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.427 ' O ' ' CG ' ' A' ' 89' ' ' GLU . 6.5 pt-20 -101.26 112.03 24.41 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.896 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 18.7 mt -114.31 148.17 17.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.103 179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 61.8 m-85 -115.46 127.04 55.05 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.907 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 70.2 mt -119.12 125.09 48.44 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.917 179.979 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 25.6 ttm-85 -122.32 119.5 31.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.538 ' SG ' HD22 ' A' ' 15' ' ' LEU . 86.9 m -89.5 173.96 8.04 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.879 -179.918 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 37.2 tt0 -84.42 -54.94 4.42 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 -179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 9.1 m-20 -130.85 172.81 11.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.887 179.953 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.474 ' HB3' ' CZ ' ' A' ' 75' ' ' PHE . 8.5 pt-20 -62.41 -33.1 74.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.919 -179.883 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 97.7 mm-40 -47.29 -58.6 3.93 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.97 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -68.27 -48.59 64.63 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 -179.92 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.414 ' CE1' ' HB2' ' A' ' 104' ' ' MET . 4.9 t80 -46.27 -67.16 0.31 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.925 -179.882 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -37.96 -58.75 0.9 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.101 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 49.4 mtt180 -44.83 -64.62 0.66 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.917 -179.918 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.584 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.6 m95 -56.65 -63.88 1.05 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.414 ' HB2' ' CE1' ' A' ' 100' ' ' TYR . 8.7 tpp -38.45 -69.5 0.12 Allowed 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.252 -0.431 . . . . 0.0 110.892 179.942 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -38.09 -33.74 0.1 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.071 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -70.84 -52.58 14.17 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.487 -179.932 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 73.6 m -55.59 -40.9 72.65 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.772 0.32 . . . . 0.0 110.855 -179.836 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 48.6 mtp85 -61.01 -43.32 99.07 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.825 -179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.581 HD11 ' HA ' ' A' ' 121' ' ' TYR . 18.4 mt -61.99 -52.89 62.18 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.927 -179.995 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -64.76 -36.23 83.63 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.233 -0.439 . . . . 0.0 111.094 179.802 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 44.8 t -40.35 -45.84 2.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.882 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 24.0 mmtp -92.41 -28.67 16.73 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.914 179.878 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.454 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 140.46 -26.34 2.56 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.491 179.958 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 77.9 mtt-85 -56.0 150.12 14.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.935 0.397 . . . . 0.0 110.817 -179.815 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.483 HG22 HG23 ' A' ' 38' ' ' THR . 65.0 p -118.1 155.79 29.78 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.177 -179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 26.2 mtm -50.22 -32.74 17.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.897 179.924 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -48.1 -28.93 3.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.102 179.915 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 21.2 t0 -67.73 141.24 56.67 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.871 179.945 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 39.7 m -65.84 -5.4 8.92 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.894 -179.785 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 7.8 t -80.62 -11.86 59.58 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.093 -0.503 . . . . 0.0 110.873 -179.799 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.581 ' HA ' HD11 ' A' ' 109' ' ' LEU . 25.9 t80 -58.92 -72.43 0.1 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.948 -179.86 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 1.5 t -52.6 -32.51 41.87 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.084 -0.507 . . . . 0.0 111.19 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.1 t -54.1 -28.46 39.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.876 -179.891 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -81.83 -47.86 12.3 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.86 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 95.9 t -51.15 -39.17 19.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.138 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -72.66 -53.18 12.49 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.937 179.989 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -52.52 -34.68 50.93 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.094 179.925 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 84.2 mt -72.32 -54.57 15.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.125 179.974 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 60.5 mt -45.95 -48.76 16.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.896 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.46 -57.4 4.2 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.115 179.811 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.462 ' HA ' HD12 ' A' ' 134' ' ' LEU . 71.7 t80 -41.5 -46.38 3.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.868 -179.928 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.461 HD12 ' OE1' ' A' ' 97' ' ' GLU . 90.4 mt -57.97 -52.15 66.71 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.898 -179.965 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.7 t -53.46 -44.43 68.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.805 -179.892 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.462 HD12 ' HA ' ' A' ' 131' ' ' PHE . 60.2 mt -45.46 -33.18 2.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.908 -179.987 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 16.1 mm-40 -69.33 -40.56 77.52 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.923 179.907 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 26.5 mmm180 -54.94 -175.79 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.829 -179.883 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 30.4 p . . . . . 0 C--N 1.33 -0.261 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.154 -179.897 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.353 0 N-CA-C 112.51 -0.236 . . . . 0.0 112.51 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -51.85 122.56 8.5 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.907 0.384 . . . . 0.0 110.842 -179.686 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.7 p -149.39 161.57 41.83 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.891 -179.808 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -91.6 -168.53 41.18 Favored Glycine 0 N--CA 1.45 -0.372 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.498 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 45.1 p -163.85 167.06 21.22 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-O 120.905 0.383 . . . . 0.0 110.836 -179.769 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 19.9 m -157.2 129.2 7.19 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.85 -179.804 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 70.87 107.14 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.356 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.49 179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.602 HG21 ' HE3' ' A' ' 36' ' ' LYS . 37.6 mm -42.95 103.11 0.3 Allowed Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.598 0.714 . . . . 0.0 111.136 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.409 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.71 102.74 1.05 Allowed 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.714 2.276 . . . . 0.0 112.381 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.573 ' HG3' HG22 ' A' ' 8' ' ' ILE . 40.3 mt-10 -118.6 150.67 39.28 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.913 -179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.459 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -107.78 139.68 41.99 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.893 -179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.407 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 15.0 mmtp -127.5 108.17 10.58 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.913 179.816 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.407 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.2 m-20 -173.58 145.77 1.25 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.887 179.871 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.596 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 7.7 t-80 -101.49 113.68 27.01 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.868 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.414 HD11 ' CD2' ' A' ' 103' ' ' TRP . 5.5 mt -89.5 -174.92 4.53 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.95 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -81.97 115.7 21.25 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.89 179.922 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 41.9 mt -118.24 131.3 71.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.118 179.971 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.577 ' CD2' ' HD3' ' A' ' 20' ' ' PRO . 78.2 t80 -137.88 131.74 31.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.895 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 37.6 mtp180 -134.99 92.78 18.04 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.613 0.72 . . . . 0.0 110.898 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.577 ' HD3' ' CD2' ' A' ' 18' ' ' PHE . 53.5 Cg_endo -69.75 -170.48 0.39 Allowed 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.7 2.267 . . . . 0.0 112.309 -179.968 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 3.3 ttt180 -175.23 -176.58 0.94 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.887 -179.981 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.683 ' O ' HG22 ' A' ' 24' ' ' THR . 0.2 OUTLIER -42.55 159.89 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.851 179.971 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.404 ' C ' ' O ' ' A' ' 22' ' ' LYS . 0.7 OUTLIER -37.21 94.95 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.946 179.885 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.683 HG22 ' O ' ' A' ' 22' ' ' LYS . 11.6 t -166.19 -176.3 3.65 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.183 179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 14.3 mt -88.99 156.58 18.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.929 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.436 ' HG3' ' CZ ' ' A' ' 18' ' ' PHE . 0.0 OUTLIER -165.51 -178.91 5.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.914 179.816 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 164.93 150.95 6.37 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.491 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.541 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 86.5 m-85 -53.56 -179.22 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.855 0.359 . . . . 0.0 110.936 -179.834 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 38.7 mtt85 -161.06 175.97 11.86 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.917 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.454 ' HA ' ' CE1' ' A' ' 14' ' ' HIS . 60.3 tt0 -101.95 83.09 2.32 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.596 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 17.5 m-70 -103.25 165.1 11.23 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.862 179.954 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.472 ' HB2' ' N ' ' A' ' 46' ' ' GLN . 53.1 t-105 -101.67 127.84 48.24 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.93 -179.983 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.4 t -120.52 136.48 57.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.153 179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 73.7 t -132.37 118.94 37.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.949 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.519 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 23.7 t80 -95.25 134.6 37.83 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.888 -179.993 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.602 ' HE3' HG21 ' A' ' 8' ' ' ILE . 15.2 tptm -122.15 157.88 30.56 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.894 179.981 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.477 ' C ' ' O ' ' A' ' 36' ' ' LYS . 41.6 mt-10 -31.39 -71.32 0.05 Allowed 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.897 179.989 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.591 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -119.03 20.88 12.6 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.141 -179.948 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -137.61 164.7 28.13 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.181 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.446 ' C ' HD23 ' A' ' 40' ' ' LEU . 7.2 tt -151.0 122.28 7.8 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.905 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -123.73 160.63 26.85 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.85 -179.96 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . 0.513 ' CE1' ' HB ' ' A' ' 54' ' ' ILE . 0.3 OUTLIER -160.09 155.7 25.63 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.085 -0.507 . . . . 0.0 110.889 -179.884 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.592 ' CE2' ' N ' ' A' ' 53' ' ' PRO . 0.3 OUTLIER -138.56 174.52 10.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.896 -179.942 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.415 ' CD ' HD11 ' A' ' 54' ' ' ILE . 0.0 OUTLIER -64.46 -20.9 66.46 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.057 -0.52 . . . . 0.0 110.884 179.905 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 11.7 t -174.4 163.0 3.63 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.887 -179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.472 ' N ' ' HB2' ' A' ' 32' ' ' TRP . 32.7 tt0 -63.6 -45.32 90.92 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.948 -179.98 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.434 ' O ' ' C ' ' A' ' 48' ' ' GLU . 5.1 m-20 -53.26 -59.2 4.86 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.859 179.975 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.434 ' C ' ' O ' ' A' ' 47' ' ' ASP . 36.6 mm-40 -35.57 -51.27 0.63 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.859 -179.884 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.714 ' HB1' ' HA ' ' A' ' 50' ' ' PRO . . . -51.25 161.89 0.71 Allowed Pre-proline 0 C--N 1.329 -0.287 0 CA-C-O 121.536 0.684 . . . . 0.0 111.11 179.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.714 ' HA ' ' HB1' ' A' ' 49' ' ' ALA . 53.3 Cg_endo -69.8 -45.4 0.43 Allowed 'Cis proline' 0 C--N 1.341 0.153 0 C-N-CA 122.695 -1.794 . . . . 0.0 112.29 0.064 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.431 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.09 -101.38 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.527 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 6.8 t70 -164.49 133.05 2.7 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.63 0.728 . . . . 0.0 110.849 -179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.592 ' N ' ' CE2' ' A' ' 43' ' ' TYR . 53.7 Cg_endo -69.79 129.58 17.8 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.67 2.247 . . . . 0.0 112.36 -179.97 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.513 ' HB ' ' CE1' ' A' ' 42' ' ' TYR . 19.6 mt -33.25 -44.7 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.177 179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 14.1 pt20 -175.31 136.94 0.37 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.957 179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.506 ' O ' HD23 ' A' ' 57' ' ' LEU . 1.4 pp0? -109.21 167.02 10.42 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.924 -179.935 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.51 ' HB3' HG11 ' A' ' 81' ' ' VAL . 1.3 mt -149.49 110.62 4.38 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.923 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 2.8 t-20 -62.29 93.95 0.05 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.919 179.891 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 15.4 mt -48.94 -19.17 0.36 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.901 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . . . . . . . . . 1.2 tmtp? -61.84 82.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.88 179.844 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 120.71 12.4 6.06 Favored Glycine 0 N--CA 1.451 -0.301 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.486 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 15.8 p -93.05 176.61 6.35 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.796 0.331 . . . . 0.0 110.872 -179.873 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 3.2 tp10 -112.13 141.84 45.33 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.861 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 96.0 t -117.45 123.0 71.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.144 179.989 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.428 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 94.8 t -124.96 96.26 40.49 Favored Pre-proline 0 C--N 1.33 -0.271 0 CA-C-O 121.657 0.741 . . . . 0.0 111.151 179.898 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.428 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.8 Cg_endo -69.73 118.89 5.95 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.669 2.246 . . . . 0.0 112.359 179.955 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 8.6 t0 -115.67 32.71 5.91 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.895 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 3.7 m -71.89 143.71 13.93 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.109 -179.985 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 66.4 m-20 -131.9 85.13 2.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.855 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.419 ' O ' ' C ' ' A' ' 71' ' ' SER . 88.3 t -43.97 -36.56 1.13 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.13 179.931 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.419 ' C ' ' O ' ' A' ' 70' ' ' VAL . 73.5 m -35.51 -42.76 0.23 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.897 -179.862 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.423 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -128.63 48.01 0.99 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.497 179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.423 ' C ' ' O ' ' A' ' 72' ' ' GLY . 27.4 mm-40 36.58 45.0 0.36 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.85 0.357 . . . . 0.0 110.887 -179.918 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 31.5 ttmt -107.79 134.25 51.02 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.853 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 6.7 m-85 -137.47 117.91 13.78 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.871 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 1.8 m -124.15 151.59 43.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.89 -179.94 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 22.3 mt -134.28 101.89 3.9 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.121 -179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.569 ' HE3' HD13 ' A' ' 80' ' ' LEU . 9.8 ttpt -82.14 123.99 29.47 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.875 179.855 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 10.0 mp -107.53 108.96 20.51 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.917 179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.569 HD13 ' HE3' ' A' ' 78' ' ' LYS . 8.1 tp -108.98 106.4 16.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.878 179.917 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.51 HG11 ' HB3' ' A' ' 57' ' ' LEU . 73.4 t -111.48 102.81 54.12 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.576 0.703 . . . . 0.0 111.169 179.81 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.426 ' HD2' ' HA ' ' A' ' 81' ' ' VAL . 53.5 Cg_endo -69.72 134.32 27.78 Favored 'Trans proline' 0 C--N 1.341 0.148 0 C-N-CA 122.685 2.257 . . . . 0.0 112.316 179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 51.7 m -158.2 152.46 20.2 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.646 0.736 . . . . 0.0 110.855 -179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 0.11 6.14 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.718 2.279 . . . . 0.0 112.32 179.957 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 23.4 tt0 -91.43 -42.05 10.52 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.876 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.442 ' O ' ' C ' ' A' ' 87' ' ' MET . . . 157.25 119.63 0.6 Allowed Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.451 -179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.442 ' C ' ' O ' ' A' ' 86' ' ' GLY . 8.5 tpt -34.52 136.88 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.787 0.327 . . . . 0.0 110.884 179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 38.4 m -128.78 107.4 9.63 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.872 -179.807 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . 0.439 ' CG ' ' O ' ' A' ' 89' ' ' GLU . 3.9 pt-20 -113.88 116.71 29.73 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.922 -179.976 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.431 ' CG2' HD21 ' A' ' 92' ' ' LEU . 85.3 mt -112.6 138.6 41.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.136 -0.484 . . . . 0.0 111.155 179.959 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 23.5 m-85 -102.69 119.19 38.4 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.903 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . 0.431 HD21 ' CG2' ' A' ' 90' ' ' ILE . 22.0 mt -120.01 114.3 21.81 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.874 -179.987 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.425 ' NH1' ' O ' ' A' ' 94' ' ' CYS . 13.9 tpt85 -108.43 126.05 52.45 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.854 179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . 0.425 ' O ' ' NH1' ' A' ' 93' ' ' ARG . 78.2 m -93.92 161.5 14.28 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.882 -179.927 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 59.5 mt-30 -81.38 -51.41 8.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 -179.876 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 0.1 OUTLIER -128.51 177.2 7.17 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.89 179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.4 pt-20 -72.01 -32.87 67.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.867 -179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 21.5 mm-40 -51.58 -50.09 60.82 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.902 -179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -72.11 -47.62 49.84 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.917 -179.95 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.7 t80 -47.29 -64.01 0.89 Allowed 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.881 -179.842 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -42.96 -53.67 4.62 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.092 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 81.0 mtt180 -49.31 -67.14 0.29 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.862 -179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.519 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 51.5 m95 -56.76 -63.54 1.17 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.904 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 6.5 tpp -39.56 -68.25 0.18 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.874 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.14 -38.53 0.49 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.247 -0.433 . . . . 0.0 111.123 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -63.69 -56.89 16.58 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.489 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 97.9 m -54.77 -36.5 64.94 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.815 0.341 . . . . 0.0 110.886 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 43.5 mtp85 -63.87 -37.95 89.28 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.862 -179.863 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . . . . . . . . . 44.5 mt -65.67 -48.92 70.49 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.902 -179.975 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -68.41 -37.84 80.72 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.159 179.776 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 2.0 t -47.26 -27.3 1.48 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.866 -179.778 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 51.0 mmtt -110.61 -15.03 13.96 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.904 179.936 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 123.31 -29.45 5.27 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.502 -179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 72.8 mtt85 -55.0 162.65 1.23 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.842 0.353 . . . . 0.0 110.929 -179.861 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.591 HG22 HG23 ' A' ' 38' ' ' THR . 76.1 p -127.79 150.5 49.79 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.184 -179.929 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 7.9 ttm -46.23 -42.59 14.52 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.872 179.938 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.38 -39.34 1.42 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.149 179.902 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 9.2 t70 -56.16 140.49 44.04 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.893 179.918 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.41 ' O ' HG22 ' A' ' 122' ' ' THR . 22.7 t -64.64 -18.39 64.9 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.749 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 31.0 t -63.22 -26.83 68.97 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.894 -179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . . . . . . . . . 20.3 t80 -49.49 -61.69 1.96 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.878 -179.864 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.41 HG22 ' O ' ' A' ' 119' ' ' SER . 2.3 t -54.27 -34.08 60.04 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.178 -179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 5.6 t -55.91 -28.3 56.13 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.84 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . 0.418 ' O ' HD12 ' A' ' 128' ' ' ILE . 20.1 mt-10 -83.56 -35.15 24.98 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.908 -179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.4 t -64.82 -37.5 80.35 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.129 179.97 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 22.7 mm-40 -75.68 -53.99 7.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.916 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -50.59 -46.67 58.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.127 179.904 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.418 HD12 ' O ' ' A' ' 124' ' ' GLU . 55.5 mt -59.26 -59.27 4.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.102 -179.988 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 51.7 mt -40.44 -45.38 2.2 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.91 179.935 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -72.63 -57.59 4.01 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.122 179.772 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 77.8 t80 -40.54 -58.32 1.62 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 -179.913 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 85.5 mt -44.01 -47.24 8.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.918 179.979 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.2 t -54.26 -35.88 63.0 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.843 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 19.0 mt -60.21 -35.02 74.46 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.908 -179.956 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.9 mm-40 -70.3 -33.23 71.29 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 10.4 mmt85 -52.11 -176.01 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.864 -179.926 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 15.9 p . . . . . 0 C--N 1.329 -0.326 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.108 -179.917 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.27 0 N-CA-C 112.465 -0.254 . . . . 0.0 112.465 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 7.7 t -54.54 147.08 14.84 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.863 0.364 . . . . 0.0 110.852 -179.709 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 42.9 t -45.34 -50.63 11.95 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.878 -179.827 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 134.54 167.49 11.47 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.517 -179.955 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 32.9 p -115.97 33.19 5.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.828 0.347 . . . . 0.0 110.812 -179.728 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 59.7 p -142.19 170.66 15.29 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.861 -179.828 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -65.05 -123.18 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.781 -0.723 . . . . 0.0 112.476 -179.994 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.448 HG23 ' HD2' ' A' ' 9' ' ' PRO . 12.5 mt -61.98 133.26 93.89 Favored Pre-proline 0 C--N 1.329 -0.316 0 CA-C-O 121.638 0.732 . . . . 0.0 111.122 -179.953 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.448 ' HD2' HG23 ' A' ' 8' ' ' ILE . 53.7 Cg_endo -69.74 95.78 0.56 Allowed 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.699 2.266 . . . . 0.0 112.333 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . . . . . . . . . 32.0 mt-10 -117.6 139.61 50.75 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.9 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.537 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.3 mt -103.77 149.08 25.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.919 -179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.443 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 0.2 OUTLIER -136.45 105.87 6.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.941 179.85 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.443 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.4 m-20 -173.29 152.0 2.14 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.839 179.95 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.574 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 9.8 t-80 -111.2 114.61 27.96 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.852 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 5.2 mt -90.43 -174.94 4.31 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.466 ' HB3' ' CE1' ' A' ' 28' ' ' TYR . 9.6 mpt_? -82.28 115.73 21.48 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 35.2 mt -116.97 124.39 72.92 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.165 179.96 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 5.4 t80 -134.81 135.81 42.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.88 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . . . . . . . . . 6.4 mmt85 -130.27 109.62 16.46 Favored Pre-proline 0 C--N 1.328 -0.333 0 CA-C-O 121.558 0.694 . . . . 0.0 110.867 -179.858 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 -165.35 0.15 Allowed 'Trans proline' 0 C--O 1.231 0.153 0 C-N-CA 122.632 2.221 . . . . 0.0 112.365 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 4.6 mmp_? 58.93 44.96 15.77 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.856 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.6 mmpt? -118.62 162.52 18.26 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.89 179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.412 ' N ' HD12 ' A' ' 23' ' ' LEU . 6.2 mp -93.19 -56.32 3.0 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.918 179.908 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . 0.441 ' O ' ' N ' ' A' ' 26' ' ' LYS . 0.9 OUTLIER -86.73 138.64 31.46 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.166 179.925 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 0.2 OUTLIER -48.56 91.48 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.926 179.933 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.441 ' N ' ' O ' ' A' ' 24' ' ' THR . 0.4 OUTLIER -120.82 112.42 18.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.264 -0.425 . . . . 0.0 110.921 179.798 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -117.64 -155.77 10.2 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.471 179.97 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.466 ' CE1' ' HB3' ' A' ' 16' ' ' ARG . 72.3 m-85 -51.35 110.42 0.44 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.899 0.38 . . . . 0.0 110.944 -179.808 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . 0.406 ' HG3' ' N ' ' A' ' 30' ' ' GLN . 5.6 tpm_? -108.28 150.06 27.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.917 -179.969 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . 0.406 ' N ' ' HG3' ' A' ' 29' ' ' ARG . 47.1 tt0 -61.94 95.41 0.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.869 -179.865 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.574 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 5.4 m-70 -120.67 169.18 10.63 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.823 179.955 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.428 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 55.5 t-105 -112.79 136.37 52.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.91 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.7 t -129.46 146.3 34.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.155 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 81.5 t -141.22 127.13 19.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.155 179.918 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.573 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 16.1 t80 -98.44 121.5 40.45 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.908 -179.979 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.469 ' O ' ' C ' ' A' ' 37' ' ' GLU . 55.0 tptt -108.45 157.51 18.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.879 179.988 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.469 ' C ' ' O ' ' A' ' 36' ' ' LYS . 7.3 mm-40 -32.68 -73.7 0.04 OUTLIER 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.895 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.642 HG23 HG22 ' A' ' 115' ' ' THR . 0.9 OUTLIER -117.79 23.69 11.53 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.101 -179.897 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.581 HG22 ' N ' ' A' ' 40' ' ' LEU . 14.0 m -139.97 168.21 20.34 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.159 -179.97 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.653 HD12 HD11 ' A' ' 59' ' ' LEU . 4.9 tt -160.33 137.36 9.21 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.937 179.926 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.476 ' N ' HD23 ' A' ' 40' ' ' LEU . 6.2 m -148.76 161.49 41.69 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.876 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 13.8 p90 -148.81 158.34 44.09 Favored 'General case' 0 C--N 1.328 -0.365 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.897 -179.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.585 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -134.96 171.82 13.87 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.969 -179.944 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.446 ' HB3' HD11 ' A' ' 54' ' ' ILE . 11.3 ptpt -74.28 -38.1 63.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.916 179.9 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 12.9 t -140.98 152.55 45.03 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.821 -179.89 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.428 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.8 mp0 -63.3 -43.77 96.88 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.921 179.982 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -49.28 -52.41 27.64 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.87 179.965 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 22.0 mm-40 -42.27 -52.63 4.41 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.853 -179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.532 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -50.2 132.19 24.1 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.612 0.72 . . . . 0.0 111.103 179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.532 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.9 Cg_endo -69.7 -40.56 1.08 Allowed 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.693 -1.795 . . . . 0.0 112.393 -0.029 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.426 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.45 -99.64 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.516 179.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -155.85 124.77 3.02 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.655 0.74 . . . . 0.0 110.814 -179.952 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.75 126.69 13.61 Favored 'Trans proline' 0 C--O 1.232 0.211 0 C-N-CA 122.703 2.269 . . . . 0.0 112.359 -179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.446 HD11 ' HB3' ' A' ' 44' ' ' LYS . 74.6 mt -49.92 -44.6 21.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.129 179.959 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 13.5 mt-30 -161.43 112.44 1.72 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.892 179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.686 ' O ' HD23 ' A' ' 57' ' ' LEU . 27.3 mt-30 -98.58 140.92 32.09 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.954 -179.985 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.686 HD23 ' O ' ' A' ' 56' ' ' GLN . 11.5 mt -147.96 157.93 43.78 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.903 -179.989 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 31.3 t30 -99.1 109.3 22.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.879 179.912 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.653 HD11 HD12 ' A' ' 40' ' ' LEU . 19.0 mt -52.33 -29.6 24.38 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.912 179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.469 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.4 OUTLIER -68.39 88.66 0.33 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.906 179.819 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 138.03 -19.37 3.28 Favored Glycine 0 N--CA 1.452 -0.291 0 C-N-CA 120.7 -0.762 . . . . 0.0 112.452 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 14.0 p -79.39 172.96 13.08 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.797 0.332 . . . . 0.0 110.887 -179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.6 tp10 -102.93 156.6 17.55 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.906 -179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 91.3 t -130.83 121.35 49.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.127 179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.431 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 87.3 t -126.94 98.21 31.1 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.646 0.736 . . . . 0.0 111.095 179.913 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.431 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 54.0 Cg_endo -69.73 104.09 1.26 Allowed 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.683 2.255 . . . . 0.0 112.382 179.911 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 2.3 m-20 -96.48 34.52 1.62 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.867 179.936 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.517 HG11 ' CZ ' ' A' ' 100' ' ' TYR . 4.8 m -73.43 147.19 9.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.126 -179.996 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.489 ' OD1' ' CB ' ' A' ' 71' ' ' SER . 61.1 t-20 -133.77 92.03 2.91 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.891 179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 99.3 t -53.59 -20.2 3.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.139 179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.489 ' CB ' ' OD1' ' A' ' 69' ' ' ASN . 5.8 t -54.88 -52.31 63.25 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.859 -179.842 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.431 ' O ' ' C ' ' A' ' 73' ' ' GLN . . . -116.95 48.56 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.5 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . 0.431 ' C ' ' O ' ' A' ' 72' ' ' GLY . 55.5 mm-40 35.57 52.85 0.77 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.874 0.369 . . . . 0.0 110.904 -179.902 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 28.6 tttt -115.05 144.44 43.63 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.882 179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 7.9 m-85 -151.8 112.45 4.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.907 179.953 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 5.4 t -134.3 138.39 44.94 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.845 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.472 HG23 ' HE1' ' A' ' 104' ' ' MET . 26.6 mt -109.62 117.73 55.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.167 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . 0.909 ' HE2' HD13 ' A' ' 80' ' ' LEU . 4.7 tmtt? -92.31 109.37 20.75 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.866 179.854 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . . . . . . . . . 7.2 tp -95.06 129.83 41.99 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.898 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.909 HD13 ' HE2' ' A' ' 78' ' ' LYS . 7.4 tp -124.21 107.35 11.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.914 179.898 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.437 HG11 ' HB3' ' A' ' 57' ' ' LEU . 27.0 t -117.49 109.32 42.09 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.659 0.742 . . . . 0.0 111.137 179.827 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.76 149.35 66.76 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.648 2.232 . . . . 0.0 112.339 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . 0.436 ' HB2' ' C ' ' A' ' 86' ' ' GLY . 2.3 m -139.46 151.32 66.5 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.69 0.757 . . . . 0.0 110.877 -179.864 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -4.67 14.48 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.696 2.264 . . . . 0.0 112.311 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 63.0 mm-40 -129.2 -30.49 2.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.253 -0.431 . . . . 0.0 110.902 -179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . 0.436 ' C ' ' HB2' ' A' ' 83' ' ' SER . . . 174.84 106.86 0.2 Allowed Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.514 -179.96 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.472 ' HE1' HD12 ' A' ' 80' ' ' LEU . 2.7 ppp? -50.28 166.84 0.07 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 110.844 -179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.413 ' N ' ' SD ' ' A' ' 87' ' ' MET . 1.2 t -132.94 111.21 10.85 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.886 -179.855 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -100.1 118.5 36.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.9 -179.956 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . 0.493 ' N ' HD12 ' A' ' 90' ' ' ILE . 3.6 mp -112.71 141.17 29.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.118 -179.993 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.3 m-85 -116.25 106.56 13.81 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.913 -179.988 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 5.6 mt -105.83 122.38 45.97 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.894 179.979 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.1 tpt180 -112.19 127.4 55.94 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.88 179.963 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 83.7 m -96.68 166.73 11.52 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.915 -179.957 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 0.6 OUTLIER -83.91 -62.07 1.66 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.954 -179.916 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 25.3 m-20 -116.71 169.81 9.08 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.83 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.41 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 7.2 pt-20 -68.77 -27.28 65.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.909 -179.929 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.8 mm-40 -56.63 -44.27 81.09 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.871 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.9 tp60 -78.73 -47.51 16.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.936 -179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.517 ' CZ ' HG11 ' A' ' 68' ' ' VAL . 4.4 t80 -50.11 -42.56 50.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 -179.874 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -62.07 -44.84 95.81 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.066 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 69.2 mtt85 -56.88 -55.28 36.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.905 -179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.573 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 46.4 m95 -66.08 -67.89 0.41 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.863 -179.938 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.472 ' HE1' HG23 ' A' ' 77' ' ' ILE . 14.8 tpp -37.43 -63.55 0.44 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.908 179.949 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -40.46 -37.62 0.72 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.09 179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.453 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -69.37 -56.18 9.08 Favored Glycine 0 N--CA 1.452 -0.264 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.489 -179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 93.0 m -52.49 -42.05 63.92 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.875 0.369 . . . . 0.0 110.911 -179.886 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 59.3 mtp85 -60.1 -32.27 70.82 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.884 -179.88 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.453 HD12 ' HA2' ' A' ' 106' ' ' GLY . 17.4 mt -72.79 -55.4 6.77 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.899 180.0 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -59.93 -44.14 94.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.119 179.823 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 31.9 t -40.63 -44.04 2.05 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.821 -179.781 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 29.1 mmmt -90.95 -21.46 21.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.469 ' HA2' ' CG ' ' A' ' 60' ' ' LYS . . . 131.4 -34.05 2.66 Favored Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.512 179.941 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 60.5 mtt180 -54.25 163.28 0.86 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.946 0.403 . . . . 0.0 110.85 -179.875 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.642 HG22 HG23 ' A' ' 38' ' ' THR . 81.5 p -134.57 157.5 46.4 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.142 -179.925 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 38.3 mtm -49.36 -40.14 34.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.842 179.921 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -41.23 -31.99 0.25 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.25 -0.432 . . . . 0.0 111.096 179.917 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -74.71 128.85 36.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.871 -179.976 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.467 ' O ' ' N ' ' A' ' 121' ' ' TYR . 50.6 m -47.44 -45.55 25.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.851 -179.782 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 40.2 t -38.27 -28.46 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.891 -179.819 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.467 ' N ' ' O ' ' A' ' 119' ' ' SER . 6.3 t80 -47.56 -54.76 10.82 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.957 -179.892 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.425 HG22 ' O ' ' A' ' 119' ' ' SER . 7.0 t -60.43 -31.24 70.22 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.143 -179.976 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -57.05 -34.31 68.11 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.861 -179.887 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 65.5 mm-40 -76.02 -44.03 41.37 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.879 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 58.1 t -54.8 -37.86 42.07 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.148 -179.999 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 24.3 mm-40 -73.64 -58.02 3.59 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.888 -179.981 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -47.32 -37.76 11.5 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.099 179.944 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 73.9 mt -66.27 -58.92 4.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.155 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 45.9 mt -45.36 -41.76 9.34 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.894 179.93 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.414 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -74.5 -61.58 1.82 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.088 179.784 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.437 ' HA ' HD12 ' A' ' 134' ' ' LEU . 77.7 t80 -37.11 -55.81 0.94 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.901 -179.885 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.41 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 48.8 mt -47.49 -45.63 26.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.923 -179.998 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 2.4 t -59.32 -41.35 88.9 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.867 -179.959 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . 0.437 HD12 ' HA ' ' A' ' 131' ' ' PHE . 36.7 mt -57.63 -43.43 84.81 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.94 -179.992 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 11.7 mm-40 -50.51 -41.64 53.81 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 179.978 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -87.62 149.02 24.56 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.875 -179.911 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 90.9 m . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.132 -179.898 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.49 -0.244 . . . . 0.0 112.49 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 94.8 p -67.14 106.01 1.87 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.905 0.383 . . . . 0.0 110.839 -179.755 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 44.2 t -77.12 120.71 22.58 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.82 -179.824 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -99.59 173.72 26.25 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.456 -179.994 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 84.1 p -166.83 143.61 4.67 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.911 0.386 . . . . 0.0 110.821 -179.738 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 5.0 t -105.17 120.06 40.58 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.878 -179.85 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.97 -173.85 22.82 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.525 -179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.59 HG21 ' HE3' ' A' ' 36' ' ' LYS . 42.0 mm -40.94 102.57 0.27 Allowed Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.623 0.725 . . . . 0.0 111.122 -179.989 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . 0.401 ' HD2' ' HA ' ' A' ' 8' ' ' ILE . 53.9 Cg_endo -69.74 114.97 3.87 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.72 2.28 . . . . 0.0 112.35 179.863 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.475 ' HG3' HG22 ' A' ' 8' ' ' ILE . 12.0 mt-10 -136.24 148.45 48.06 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.89 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.472 HD12 ' HD2' ' A' ' 35' ' ' PHE . 1.9 mt -105.87 134.72 48.54 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.931 -179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.414 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 1.6 mmmm -117.56 108.48 15.53 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.845 179.862 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.414 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.1 m-20 -174.95 143.62 0.73 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.873 179.88 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.598 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 8.1 t-80 -98.74 113.52 25.65 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.854 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 9.0 mt -88.08 -175.09 4.95 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.931 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.582 ' HG3' ' CD1' ' A' ' 28' ' ' TYR . 2.1 tpm_? -82.11 116.13 21.54 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.844 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 36.7 mt -118.81 127.36 75.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.114 179.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.581 ' HB2' ' CE1' ' A' ' 28' ' ' TYR . 5.4 t80 -145.45 132.04 19.85 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.407 ' HA ' ' HD2' ' A' ' 20' ' ' PRO . 29.5 mtp180 -133.42 107.09 12.07 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.58 0.705 . . . . 0.0 110.901 -179.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.548 ' HD3' ' CE2' ' A' ' 18' ' ' PHE . 53.7 Cg_endo -69.73 -24.11 30.18 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.709 2.273 . . . . 0.0 112.32 -179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . 0.433 ' CG ' ' O ' ' A' ' 21' ' ' ARG . 17.8 ptt180 -81.71 81.03 7.89 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.919 -179.964 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.434 ' O ' ' C ' ' A' ' 23' ' ' LEU . 21.4 tptm -154.05 140.15 18.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.893 179.974 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . 0.434 ' C ' ' O ' ' A' ' 22' ' ' LYS . 9.5 mp -34.85 -60.81 0.43 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.945 179.908 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 17.5 m -94.83 147.8 22.97 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.146 179.957 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.707 ' H ' HD23 ' A' ' 25' ' ' LEU . 0.2 OUTLIER -83.24 92.57 7.51 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.874 179.986 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 31.8 mttp -115.62 152.63 32.75 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.899 179.789 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . -96.1 -150.86 27.52 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 179.974 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.582 ' CD1' ' HG3' ' A' ' 16' ' ' ARG . 99.2 m-85 -68.66 148.93 49.71 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.865 0.364 . . . . 0.0 110.887 -179.758 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 48.5 mtp85 -134.11 178.28 7.09 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.863 -179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 15.2 tt0 -98.1 101.05 12.42 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.94 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.598 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 10.4 m-70 -125.88 167.75 14.82 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.895 179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.524 ' CD2' ' HG3' ' A' ' 46' ' ' GLN . 66.9 t-105 -106.57 139.81 40.44 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.899 -179.949 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 97.0 t -132.89 149.94 32.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.115 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 76.3 t -143.66 123.43 8.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.128 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.59 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 14.3 t80 -95.54 132.41 40.68 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 -179.954 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.59 ' HE3' HG21 ' A' ' 8' ' ' ILE . 17.0 tptm -115.92 157.83 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.857 179.992 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.472 ' C ' ' O ' ' A' ' 36' ' ' LYS . 19.9 mt-10 -31.87 -72.48 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.862 179.997 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.614 HG23 HG22 ' A' ' 115' ' ' THR . 0.8 OUTLIER -117.65 22.5 12.32 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.12 -179.907 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . . . . . . . . . 0.5 OUTLIER -140.19 165.06 28.39 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.242 -0.436 . . . . 0.0 111.133 -179.998 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.41 HD23 ' N ' ' A' ' 41' ' ' SER . 6.1 tt -155.86 125.48 6.37 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.941 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.41 ' N ' HD23 ' A' ' 40' ' ' LEU . 71.8 m -140.73 153.35 45.86 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.854 -179.92 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 23.1 p90 -140.55 173.32 11.61 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.903 -179.864 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.684 ' CG ' ' HB2' ' A' ' 49' ' ' ALA . 0.4 OUTLIER -144.51 170.16 16.58 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.907 -179.912 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . 0.483 ' HB3' HD11 ' A' ' 54' ' ' ILE . 5.5 pttm -78.48 -37.23 43.83 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.887 179.934 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 32.5 m -132.7 137.6 46.97 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.851 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.524 ' HG3' ' CD2' ' A' ' 32' ' ' TRP . 2.3 tt0 -62.06 -27.68 69.07 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.891 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 5.8 t70 -69.72 -49.03 57.18 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.891 179.928 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.416 ' OE1' ' CA ' ' A' ' 48' ' ' GLU . 0.0 OUTLIER -49.45 -69.83 0.11 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.88 -179.913 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.684 ' HB2' ' CG ' ' A' ' 43' ' ' TYR . . . -38.08 151.89 0.16 Allowed Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.615 0.721 . . . . 0.0 111.059 179.977 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.555 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.73 -48.54 0.27 Allowed 'Cis proline' 0 C--N 1.341 0.18 0 C-N-CA 122.63 -1.821 . . . . 0.0 112.36 -0.023 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.451 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.03 -94.34 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.514 179.988 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . 0.469 ' N ' ' O ' ' A' ' 50' ' ' PRO . 7.5 p-10 -143.47 118.56 6.28 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.632 0.73 . . . . 0.0 110.841 -179.99 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 127.81 15.11 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.718 2.279 . . . . 0.0 112.324 -179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . 0.483 HD11 ' HB3' ' A' ' 44' ' ' LYS . 96.3 mt -41.67 -42.36 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.16 179.869 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 3.2 mt-30 -159.48 128.91 5.37 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.951 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.422 ' C ' HD23 ' A' ' 57' ' ' LEU . 15.5 pt20 -111.17 131.53 55.03 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.887 -179.902 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.789 HD12 HG21 ' A' ' 81' ' ' VAL . 0.2 OUTLIER -140.44 128.24 21.82 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.913 179.976 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . 0.4 ' OD1' ' N ' ' A' ' 60' ' ' LYS . 39.0 t-20 -82.8 108.26 16.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.881 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . . . . . . . . . 58.1 mt -53.9 -39.55 65.87 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.914 179.951 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.426 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.0 OUTLIER -49.34 96.59 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.222 -0.444 . . . . 0.0 110.86 179.854 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 109.69 21.94 6.92 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.539 179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 20.9 p -107.84 -174.93 2.64 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.766 0.317 . . . . 0.0 110.908 -179.896 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 tp10 -109.45 152.6 25.17 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.852 -179.855 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 43.0 t -132.4 121.86 46.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.131 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 39.7 t -132.15 95.32 21.82 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.683 0.754 . . . . 0.0 111.105 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.77 126.91 13.85 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.694 2.263 . . . . 0.0 112.339 179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 3.4 t70 -111.6 25.77 11.32 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.859 179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.641 HG21 ' CZ ' ' A' ' 100' ' ' TYR . 89.5 t -66.84 131.28 32.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.119 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.431 ' O ' ' C ' ' A' ' 70' ' ' VAL . 24.3 m-20 -133.38 78.03 1.76 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.885 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . 0.431 ' C ' ' O ' ' A' ' 69' ' ' ASN . 94.8 t -35.1 -36.62 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.258 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.079 179.892 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 47.9 t -41.09 -56.48 2.31 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.862 -179.797 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -104.35 36.67 4.22 Favored Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.501 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 27.4 mm100 37.8 47.36 0.85 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.886 0.374 . . . . 0.0 110.944 -179.833 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 32.6 ttmt -106.47 155.26 19.76 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.858 179.955 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 68.6 m-85 -153.27 105.19 2.85 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 2.3 t -127.24 140.14 52.43 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.869 -179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.583 HG22 ' CD1' ' A' ' 79' ' ' LEU . 40.4 mt -117.75 96.5 4.52 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.112 -179.938 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 7.9 tttm -68.67 122.1 17.82 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.907 179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.583 ' CD1' HG22 ' A' ' 77' ' ' ILE . 10.0 mp -116.41 112.81 22.0 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.914 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -119.51 107.27 13.1 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.915 179.906 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.789 HG21 HD12 ' A' ' 57' ' ' LEU . 92.7 t -106.8 128.0 26.99 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.64 0.733 . . . . 0.0 111.136 179.84 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 133.72 26.31 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.695 2.263 . . . . 0.0 112.347 179.949 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.3 m -137.84 140.17 28.72 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.64 0.733 . . . . 0.0 110.854 -179.834 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 -0.84 7.53 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.651 2.234 . . . . 0.0 112.314 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 61.0 mm-40 -119.15 -20.58 7.95 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.87 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 173.59 -143.9 7.39 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.512 -179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . . . . . . . . . 5.5 ttm -138.16 135.36 35.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.781 0.324 . . . . 0.0 110.878 -179.997 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 14.1 m -108.65 81.78 1.51 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 -179.819 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 12.4 tt0 -94.13 115.99 28.35 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.123 -0.489 . . . . 0.0 110.891 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 3.2 mp -112.91 150.52 15.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.156 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 19.3 m-85 -113.77 109.88 19.27 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.916 -179.958 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 39.4 mt -105.97 114.18 28.17 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.937 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 17.9 ttm-85 -110.62 100.76 9.49 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.276 -0.42 . . . . 0.0 110.895 179.976 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 69.1 m -70.73 167.94 17.67 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.911 -179.942 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 50.1 mt-30 -88.19 -50.99 6.02 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.974 -179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 31.1 t0 -125.48 172.57 9.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.861 179.961 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.425 ' HB2' ' CD1' ' A' ' 132' ' ' LEU . 12.7 pt-20 -68.36 -28.29 66.99 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.935 -179.943 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 10.9 mm-40 -55.0 -60.66 3.06 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.907 -179.907 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 40.6 tt0 -62.57 -44.2 96.92 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.914 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . 0.641 ' CZ ' HG21 ' A' ' 68' ' ' VAL . 4.1 t80 -49.92 -56.13 11.77 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.951 -179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . 0.439 ' O ' ' C ' ' A' ' 102' ' ' ARG . . . -51.64 -66.25 0.42 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.069 -0.514 . . . . 0.0 111.068 179.91 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . 0.439 ' C ' ' O ' ' A' ' 101' ' ' ALA . 78.7 mtt180 -35.57 -66.98 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.876 -179.915 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.59 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 37.3 m95 -56.24 -62.78 1.48 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.905 -179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.403 ' C ' ' O ' ' A' ' 103' ' ' TRP . 7.9 tpp -38.15 -66.41 0.26 Allowed 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.885 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -37.82 -40.01 0.41 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.1 179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . . . . . . . . . . . -64.65 -56.5 16.6 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.692 -0.765 . . . . 0.0 112.525 -179.959 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 85.1 m -51.92 -41.54 62.08 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.842 0.353 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 31.1 mtp180 -63.94 -39.69 94.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.848 -179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.73 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.1 mt -66.84 -42.96 84.92 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -73.78 -31.24 63.19 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.085 179.759 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 28.6 t -49.87 -47.28 51.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.251 -0.432 . . . . 0.0 110.865 -179.768 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 28.4 mmmt -87.18 -32.63 19.71 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.882 179.911 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 142.33 -23.28 2.39 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.497 179.947 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . 0.424 ' N ' ' O ' ' A' ' 109' ' ' LEU . 94.3 mtt180 -60.15 152.84 23.42 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.852 0.358 . . . . 0.0 110.875 -179.864 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.614 HG22 HG23 ' A' ' 38' ' ' THR . 80.9 p -125.9 149.56 48.61 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.171 -179.916 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . . . . . . . . . 28.4 mtm -43.88 -32.41 1.08 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.895 179.87 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -45.44 -39.92 7.64 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.084 179.94 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 7.0 t70 -64.64 163.89 12.94 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.85 179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 2.7 m -79.88 -23.93 41.53 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.824 -179.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 33.3 m -53.99 -34.07 58.84 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.855 -179.791 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.73 ' HA ' HD11 ' A' ' 109' ' ' LEU . 27.7 t80 -38.68 -70.79 0.09 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.943 -179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 6.0 t -52.88 -32.08 43.1 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.139 -179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 2.0 t -54.76 -35.24 63.55 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.894 -179.885 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -76.12 -54.29 7.05 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.902 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 86.9 t -43.32 -38.63 1.07 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.167 -0.469 . . . . 0.0 111.132 179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 26.7 mm-40 -72.39 -57.82 3.88 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.908 -179.984 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -49.53 -37.86 28.45 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.12 179.919 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 75.0 mt -65.84 -62.05 1.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.11 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 23.3 mt -39.85 -47.1 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 179.956 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . 0.425 ' O ' ' C ' ' A' ' 131' ' ' PHE . . . -67.82 -59.91 2.93 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.07 179.804 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.425 ' C ' ' O ' ' A' ' 130' ' ' ALA . 78.6 t80 -36.4 -53.97 0.84 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.253 -0.43 . . . . 0.0 110.849 -179.851 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.425 ' CD1' ' HB2' ' A' ' 97' ' ' GLU . 95.3 mt -44.18 -44.04 7.5 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.925 179.987 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . 0.414 ' N ' ' O ' ' A' ' 130' ' ' ALA . 1.8 t -58.98 -46.17 88.78 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.836 -179.922 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 25.4 mt -49.76 -32.23 13.27 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.912 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 12.2 mm-40 -70.57 -42.78 70.65 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.895 179.91 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 2.6 mmp_? -45.76 171.73 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.904 -179.912 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.465 HG22 ' O ' ' A' ' 137' ' ' THR . 17.2 m . . . . . 0 C--N 1.329 -0.283 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.106 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.351 0 N-CA-C 112.481 -0.248 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.4 t -170.4 146.11 2.78 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.874 0.368 . . . . 0.0 110.837 -179.726 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 19.6 p -143.22 134.15 25.49 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.898 -179.848 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -82.91 124.61 6.59 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.505 -179.976 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.7 p -111.29 125.86 54.28 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.903 0.383 . . . . 0.0 110.836 -179.715 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.4 m -63.31 110.66 1.97 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 106.18 173.37 23.38 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.469 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.654 HG22 ' HG3' ' A' ' 10' ' ' GLU . 47.7 mm -38.22 101.92 0.24 Allowed Pre-proline 0 C--N 1.328 -0.348 0 CA-C-O 121.612 0.72 . . . . 0.0 111.116 -179.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.79 98.75 0.71 Allowed 'Trans proline' 0 C--O 1.231 0.154 0 C-N-CA 122.662 2.241 . . . . 0.0 112.322 179.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.654 ' HG3' HG22 ' A' ' 8' ' ' ILE . 15.4 mt-10 -116.94 151.17 37.24 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.915 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . 0.538 HD12 ' HD2' ' A' ' 35' ' ' PHE . 2.5 mt -101.19 140.73 35.08 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.923 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . 0.438 ' O ' ' CG ' ' A' ' 13' ' ' ASP . 27.5 mmtm -124.35 105.84 9.76 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.883 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.438 ' CG ' ' O ' ' A' ' 12' ' ' LYS . 7.3 m-20 -174.49 142.3 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.848 179.876 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.547 ' CG ' ' O ' ' A' ' 31' ' ' HIS . 9.7 t-80 -102.5 111.93 24.44 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.812 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 3.2 mt -88.04 -175.46 5.09 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.926 179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . 0.572 ' HG2' ' CE2' ' A' ' 28' ' ' TYR . 8.1 ttm180 -81.95 115.64 21.21 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.852 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 30.8 mt -115.22 137.32 49.13 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.142 179.97 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.574 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 1.3 t80 -152.58 136.88 16.62 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.904 179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.438 ' N ' ' CD1' ' A' ' 18' ' ' PHE . 18.5 mtm105 -143.71 105.04 4.94 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.632 0.73 . . . . 0.0 110.855 -179.892 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.526 ' HD3' ' CZ ' ' A' ' 18' ' ' PHE . 53.3 Cg_endo -69.75 -6.01 17.57 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.692 2.261 . . . . 0.0 112.311 -179.995 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -51.14 -53.81 31.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.923 -179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.4 mmmt -47.73 164.08 0.05 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 179.939 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 32.5 tp -83.79 -54.06 5.17 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.93 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 11.1 t -76.81 130.51 37.75 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.141 179.938 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . . . . . . . . . 2.7 mm? -48.86 107.0 0.11 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.908 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . . . . . . . . . 15.5 mmmt -99.32 -37.95 9.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.919 179.802 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 59.5 -102.48 0.32 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.49 179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.574 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 17.6 m-85 -139.98 146.93 39.74 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.874 0.369 . . . . 0.0 110.942 -179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 1.8 mmp_? -143.11 170.22 16.12 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.851 -179.991 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 47.4 tt0 -78.94 108.65 12.57 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.169 -0.468 . . . . 0.0 110.901 -179.946 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.547 ' O ' ' CG ' ' A' ' 14' ' ' HIS . 67.0 m-70 -131.64 169.68 15.82 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.882 179.966 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . . . . . . . . . 51.2 t-105 -111.98 128.44 56.17 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 93.7 t -123.11 145.74 29.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.147 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 99.2 t -143.74 126.13 11.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.15 179.921 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.538 ' HD2' HD12 ' A' ' 11' ' ' LEU . 21.7 t80 -96.78 119.89 36.1 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.484 ' HE3' HG21 ' A' ' 8' ' ' ILE . 16.7 tptm -104.09 157.72 16.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.877 179.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.471 ' C ' ' O ' ' A' ' 36' ' ' LYS . 24.9 mt-10 -32.4 -75.09 0.03 OUTLIER 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 179.993 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.442 HG23 HG22 ' A' ' 115' ' ' THR . 1.2 p -115.0 24.47 11.68 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.113 -179.9 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.469 HG22 ' H ' ' A' ' 40' ' ' LEU . 1.4 m -143.23 166.35 24.95 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.278 -0.419 . . . . 0.0 111.128 -179.94 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.469 ' H ' HG22 ' A' ' 39' ' ' THR . 4.9 tt -159.11 124.65 4.29 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.963 179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.465 ' N ' HD23 ' A' ' 40' ' ' LEU . 26.2 m -140.23 159.32 42.44 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.828 -179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 6.1 p90 -142.9 170.3 15.95 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.886 -179.887 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.548 ' CD1' ' N ' ' A' ' 43' ' ' TYR . 0.1 OUTLIER -143.85 167.49 22.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.884 -179.876 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 53.8 mtpt -70.02 -18.49 63.31 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.885 179.881 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.6 t -163.57 149.81 11.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.834 -179.86 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . 0.448 ' C ' ' CD ' ' A' ' 46' ' ' GLN . 5.9 tm0? -59.78 -39.88 86.4 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.923 -179.949 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -54.08 -55.72 24.89 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.894 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . . . . . . . . . 21.7 mm-40 -41.11 -52.8 3.2 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.942 -179.943 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.521 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -45.53 133.26 6.19 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.601 0.715 . . . . 0.0 111.072 179.896 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.521 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 53.4 Cg_endo -69.77 -39.42 1.34 Allowed 'Cis proline' 0 C--N 1.342 0.196 0 C-N-CA 122.686 -1.798 . . . . 0.0 112.321 -0.0 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.425 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 34.65 -97.7 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.468 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 9.7 t0 -158.18 122.37 2.19 Favored Pre-proline 0 C--N 1.328 -0.356 0 CA-C-O 121.616 0.722 . . . . 0.0 110.884 -179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 123.86 10.51 Favored 'Trans proline' 0 C--O 1.232 0.189 0 C-N-CA 122.666 2.244 . . . . 0.0 112.351 -179.958 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 96.5 mt -39.99 -43.48 0.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.136 179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . 0.697 ' NE2' HD11 ' A' ' 57' ' ' LEU . 1.2 tt0 -166.85 107.23 0.63 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.897 179.967 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . 0.436 ' C ' ' HG ' ' A' ' 57' ' ' LEU . 16.7 pt20 -93.35 142.01 27.8 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.913 -179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.697 HD11 ' NE2' ' A' ' 55' ' ' GLN . 3.0 mt -148.47 163.99 35.5 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.885 -179.971 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 24.0 t-20 -99.9 120.92 40.54 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.932 179.877 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 79' ' ' LEU . 41.6 mt -67.97 -38.05 82.25 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.924 179.969 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.457 ' CG ' ' HA2' ' A' ' 113' ' ' GLY . 0.0 OUTLIER -59.6 104.33 0.27 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.894 179.835 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 121.23 -21.16 8.28 Favored Glycine 0 N--CA 1.452 -0.3 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.458 179.903 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . . . . . . . . . 4.1 p -79.85 -179.76 7.12 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.762 0.315 . . . . 0.0 110.897 -179.89 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.3 tp10 -110.67 159.41 17.61 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.852 -179.84 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 95.5 t -139.29 112.54 6.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.059 179.999 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . 0.408 ' HA ' ' HD2' ' A' ' 66' ' ' PRO . 42.0 t -107.46 101.59 40.08 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.607 0.717 . . . . 0.0 111.157 179.873 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . 0.408 ' HD2' ' HA ' ' A' ' 65' ' ' VAL . 53.6 Cg_endo -69.76 123.29 9.96 Favored 'Trans proline' 0 C--O 1.232 0.184 0 C-N-CA 122.675 2.25 . . . . 0.0 112.33 179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 72.5 m-20 -117.43 75.06 0.96 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.904 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.546 HG11 ' CD2' ' A' ' 132' ' ' LEU . 96.2 t -101.36 119.32 49.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.117 -179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . 0.428 ' O ' ' N ' ' A' ' 71' ' ' SER . 36.6 t30 -115.48 68.28 0.71 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.921 179.954 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 61.7 t -39.58 -28.36 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.108 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . 0.428 ' N ' ' O ' ' A' ' 69' ' ' ASN . 3.0 t -44.94 -46.42 11.0 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.851 -179.864 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -124.37 42.3 1.58 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.531 -179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 95.4 mm-40 40.78 50.31 2.97 Favored 'General case' 0 C--N 1.33 -0.283 0 CA-C-O 120.893 0.378 . . . . 0.0 110.977 -179.823 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . . . . . . . . . 4.1 tppp? -106.26 131.13 53.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.902 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . . . . . . . . . 62.4 m-85 -137.31 106.73 6.1 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.915 179.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 55.4 m -131.34 149.83 52.39 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.89 -179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 39.6 mt -117.92 125.01 73.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.132 -179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 33.7 tttm -102.73 108.58 19.87 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.918 179.851 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.831 HD21 HD21 ' A' ' 59' ' ' LEU . 9.9 tp -98.94 114.08 26.53 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.926 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . . . . . . . . . 16.1 mt -103.76 98.66 8.48 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.924 179.878 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . . . . . . . . . 58.3 t -108.49 131.15 21.95 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.688 0.756 . . . . 0.0 111.13 179.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.8 150.6 68.18 Favored 'Trans proline' 0 C--N 1.342 0.234 0 C-N-CA 122.668 2.245 . . . . 0.0 112.325 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 3.8 m -143.24 156.51 61.11 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.634 0.73 . . . . 0.0 110.88 -179.826 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 -4.81 14.8 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.664 2.243 . . . . 0.0 112.318 -179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 25.2 mm-40 -106.66 -40.8 5.43 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.85 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . -175.45 -93.47 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.491 -179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.439 ' SD ' ' N ' ' A' ' 88' ' ' SER . 7.1 tpp -155.07 122.0 5.46 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.779 0.323 . . . . 0.0 110.885 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . 0.439 ' N ' ' SD ' ' A' ' 87' ' ' MET . 3.6 m -97.21 94.86 7.35 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.841 -179.782 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 7.1 pt-20 -95.92 118.52 32.71 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.881 -179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 33.5 mt -107.0 137.03 39.91 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.132 179.928 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 26.1 m-85 -107.78 125.06 50.95 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.942 179.998 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 13.3 mt -124.46 114.24 19.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.899 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 29.9 ttm180 -103.1 110.66 22.69 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.865 179.952 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 65.5 m -80.33 162.22 24.65 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 24.2 tt0 -77.6 -61.27 2.05 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.878 -179.895 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 27.5 p-10 -121.94 179.9 4.36 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.916 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.405 ' HG2' ' N ' ' A' ' 98' ' ' GLN . 0.4 OUTLIER -69.97 -27.25 64.56 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.889 -179.918 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . 0.405 ' N ' ' HG2' ' A' ' 97' ' ' GLU . 15.8 mm-40 -58.04 -57.96 10.54 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.944 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 4.6 tp60 -63.82 -35.04 79.3 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.235 -0.438 . . . . 0.0 110.94 -179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 20.1 t80 -59.21 -56.61 19.94 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.889 -179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -54.3 -51.33 64.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.094 179.861 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 55.8 mtt180 -51.0 -63.17 1.22 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.862 -179.846 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.518 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 42.0 m95 -60.52 -62.32 1.95 Allowed 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.926 179.981 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . . . . . . . . . 13.6 tpp -41.27 -67.21 0.27 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.869 179.993 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -39.22 -36.22 0.31 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.076 179.886 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.448 ' HA2' HD12 ' A' ' 109' ' ' LEU . . . -66.4 -54.44 23.27 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.506 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 89.6 m -55.77 -39.85 71.8 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.817 0.341 . . . . 0.0 110.861 -179.854 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 54.7 mtp85 -61.57 -35.97 79.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.859 -179.847 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.506 HD11 ' HA ' ' A' ' 121' ' ' TYR . 25.0 mt -67.01 -52.9 36.74 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.921 -179.941 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . 0.48 ' O ' ' N ' ' A' ' 113' ' ' GLY . . . -61.81 -40.79 96.48 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.228 -0.442 . . . . 0.0 111.079 179.796 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 8.6 t -39.82 -32.21 0.14 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.864 -179.769 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 23.7 mmtp -105.73 -17.5 14.37 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.912 179.933 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . 0.48 ' N ' ' O ' ' A' ' 110' ' ' ALA . . . 122.36 -10.24 9.3 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.504 179.928 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 79.1 mtt180 -67.83 151.85 46.51 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.358 . . . . 0.0 110.861 -179.87 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.442 HG22 HG23 ' A' ' 38' ' ' THR . 82.2 p -118.93 145.05 46.08 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.149 -179.963 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.462 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.7 ttp -44.79 -36.62 3.32 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -44.47 -36.79 3.09 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.074 179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 6.9 t70 -58.82 134.93 57.32 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.295 -0.411 . . . . 0.0 110.86 179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . 0.493 ' O ' HG22 ' A' ' 122' ' ' THR . 58.0 m -57.25 -27.94 62.5 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.893 -179.8 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . 0.435 ' O ' ' N ' ' A' ' 123' ' ' SER . 83.3 p -55.91 -34.42 65.55 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.855 -179.804 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.506 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.7 t80 -36.24 -65.67 0.25 Allowed 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.906 -179.875 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . 0.493 HG22 ' O ' ' A' ' 119' ' ' SER . 6.6 t -53.67 -32.77 52.93 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.102 -0.499 . . . . 0.0 111.179 -179.984 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . 0.435 ' N ' ' O ' ' A' ' 120' ' ' SER . 2.0 t -56.86 -28.01 61.11 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 29.8 mm-40 -82.67 -44.45 15.7 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.872 -179.941 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.5 t -54.04 -35.47 28.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.13 -0.487 . . . . 0.0 111.147 179.986 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 21.0 mm-40 -76.51 -57.58 3.78 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.909 -179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -43.91 -36.78 2.55 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.113 179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . 0.425 ' O ' ' C ' ' A' ' 129' ' ' LEU . 63.1 mt -72.61 -67.68 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.136 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . 0.425 ' C ' ' O ' ' A' ' 128' ' ' ILE . 36.6 mt -36.24 -47.11 0.56 Allowed 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.91 179.881 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -70.38 -61.81 1.63 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.108 179.828 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . 0.434 ' CZ ' ' NE2' ' A' ' 135' ' ' GLN . 48.0 t80 -39.74 -45.02 1.66 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.866 -179.943 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . 0.546 ' CD2' HG11 ' A' ' 68' ' ' VAL . 93.3 mt -49.8 -47.36 51.35 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 -179.96 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.9 t -58.94 -47.46 84.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.883 -179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 40.4 mt -51.9 -47.71 64.47 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.934 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . 0.434 ' NE2' ' CZ ' ' A' ' 131' ' ' PHE . 12.6 mm-40 -47.88 -46.6 31.69 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.928 179.902 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . 0.446 ' O ' ' C ' ' A' ' 137' ' ' THR . 15.0 mtp-105 -42.05 149.41 0.15 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 -179.888 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . 0.446 ' C ' ' O ' ' A' ' 136' ' ' ARG . 85.4 m . . . . . 0 C--N 1.329 -0.306 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.108 -179.929 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.364 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 82.8 p -48.71 -41.45 31.85 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.857 0.36 . . . . 0.0 110.835 -179.735 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 73.0 p -68.57 167.6 14.68 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.857 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 112.73 119.1 3.62 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.495 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 44.9 m -74.94 152.31 38.82 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.899 0.38 . . . . 0.0 110.841 -179.728 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 23.3 t -170.94 164.87 7.69 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.867 -179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . 0.406 ' O ' ' C ' ' A' ' 8' ' ' ILE . . . -71.59 -158.44 3.31 Favored Glycine 0 N--CA 1.452 -0.288 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.451 -179.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.553 HG22 ' HG3' ' A' ' 10' ' ' GLU . 43.0 mm -36.58 101.77 0.22 Allowed Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.543 0.687 . . . . 0.0 111.149 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.7 97.83 0.65 Allowed 'Trans proline' 0 C--N 1.341 0.143 0 C-N-CA 122.709 2.273 . . . . 0.0 112.354 179.86 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLU . . . . . 0.553 ' HG3' HG22 ' A' ' 8' ' ' ILE . 28.8 mt-10 -117.56 150.86 38.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.866 179.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' LEU . . . . . . . . . . . . . 1.9 mt -104.03 131.42 51.3 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.902 -179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' LYS . . . . . . . . . . . . . 13.6 mmtp -117.05 109.63 17.21 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.904 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -174.68 149.07 1.19 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.887 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' HIS . . . . . 0.594 ' CD2' ' O ' ' A' ' 31' ' ' HIS . 5.3 t-80 -101.9 114.68 28.98 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.878 -179.967 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.431 HD11 ' CE3' ' A' ' 103' ' ' TRP . 7.5 mt -89.65 -174.75 4.43 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 -179.985 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' ARG . . . . . . . . . . . . . 6.4 mmt180 -81.97 115.81 21.31 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.88 179.941 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' ILE . . . . . . . . . . . . . 37.4 mt -119.86 132.45 69.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.118 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.555 ' HB2' ' CE2' ' A' ' 28' ' ' TYR . 6.4 t80 -142.08 131.65 23.93 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.886 179.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ARG . . . . . 0.48 ' CZ ' ' HA ' ' A' ' 19' ' ' ARG . 0.5 OUTLIER -134.88 83.45 40.75 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.588 0.709 . . . . 0.0 110.879 -179.91 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 18' ' ' PHE . 54.2 Cg_endo -69.7 -170.95 0.42 Allowed 'Trans proline' 0 C--O 1.231 0.151 0 C-N-CA 122.706 2.271 . . . . 0.0 112.355 179.988 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' ARG . . . . . . . . . . . . . 20.6 tpp180 -175.29 123.46 0.23 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.883 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 36.1 mmtt 58.63 44.38 17.59 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.921 -179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' LEU . . . . . . . . . . . . . 9.8 mp 62.13 35.89 15.46 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.939 179.914 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' THR . . . . . . . . . . . . . 87.2 m -102.54 141.91 34.6 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.105 -179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' LEU . . . . . 0.504 HD23 ' N ' ' A' ' 25' ' ' LEU . 0.4 OUTLIER -120.44 57.79 0.95 Allowed 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.928 179.94 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' LYS . . . . . 0.419 ' NZ ' ' HB3' ' A' ' 26' ' ' LYS . 0.0 OUTLIER -52.65 -25.67 11.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.913 179.857 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.4 ' N ' ' HG2' ' A' ' 26' ' ' LYS . . . 110.91 -172.82 15.47 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.504 179.935 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.555 ' CE2' ' HB2' ' A' ' 18' ' ' PHE . 26.9 m-85 -96.23 164.34 12.71 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 120.872 0.368 . . . . 0.0 110.917 -179.802 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -131.09 156.36 45.36 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.124 -0.489 . . . . 0.0 110.871 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLN . . . . . . . . . . . . . 43.7 tt0 -92.56 94.37 9.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.901 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' HIS . . . . . 0.594 ' O ' ' CD2' ' A' ' 14' ' ' HIS . 64.9 m170 -118.3 151.05 38.44 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.88 179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' TRP . . . . . 0.401 ' N ' ' O ' ' A' ' 43' ' ' TYR . 54.3 t-105 -82.78 145.59 29.45 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.938 -179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 13.7 t -136.26 144.8 32.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.113 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' VAL . . . . . . . . . . . . . 86.1 t -140.22 120.76 13.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.103 179.906 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' PHE . . . . . 0.581 ' HB2' ' CZ3' ' A' ' 103' ' ' TRP . 29.5 t80 -95.18 127.87 41.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.867 -179.959 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' LYS . . . . . 0.464 ' O ' ' C ' ' A' ' 37' ' ' GLU . 22.4 tptt -110.57 157.45 19.64 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.922 179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' GLU . . . . . 0.464 ' C ' ' O ' ' A' ' 36' ' ' LYS . 35.1 mt-10 -32.77 -67.7 0.11 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.896 179.98 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' THR . . . . . 0.654 HG23 HG22 ' A' ' 115' ' ' THR . 2.2 p -121.66 18.64 11.17 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.137 -179.903 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' THR . . . . . 0.502 HG22 ' H ' ' A' ' 40' ' ' LEU . 0.6 OUTLIER -136.48 169.64 17.36 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.132 -179.938 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LEU . . . . . 0.502 ' H ' HG22 ' A' ' 39' ' ' THR . 6.8 tt -153.68 138.67 17.24 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.961 179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' SER . . . . . 0.467 ' N ' HD23 ' A' ' 40' ' ' LEU . 2.1 p -148.79 142.44 25.49 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.857 -179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' TYR . . . . . . . . . . . . . 2.0 p90 -133.37 148.36 51.84 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.92 -179.867 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' TYR . . . . . 0.518 ' CZ ' ' HB3' ' A' ' 53' ' ' PRO . 1.3 m-85 -127.4 166.36 18.03 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.942 -179.974 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' LYS . . . . . . . . . . . . . 11.1 ttmm -81.81 -33.0 31.03 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.097 -0.502 . . . . 0.0 110.931 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.41 ' C ' ' N ' ' A' ' 47' ' ' ASP . 8.2 m -144.27 122.81 12.46 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.88 -179.944 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' GLN . . . . . . . . . . . . . 13.2 mt-30 -44.65 -22.03 0.07 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.125 -0.488 . . . . 0.0 110.872 -179.936 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ASP . . . . . 0.41 ' N ' ' C ' ' A' ' 45' ' ' SER . 39.9 m-20 -72.91 -40.04 65.84 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.852 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' GLU . . . . . 0.429 ' CD ' ' HB3' ' A' ' 43' ' ' TYR . 3.9 pt-20 -62.97 -23.75 67.57 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.899 -179.926 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.545 ' HA ' ' C ' ' A' ' 50' ' ' PRO . . . -88.07 147.2 40.09 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.584 0.707 . . . . 0.0 111.116 179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.545 ' C ' ' HA ' ' A' ' 49' ' ' ALA . 54.0 Cg_endo -69.79 -49.57 0.22 Allowed 'Cis proline' 0 C--N 1.341 0.177 0 C-N-CA 122.701 -1.791 . . . . 0.0 112.361 0.034 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . 0.436 ' C ' ' O ' ' A' ' 50' ' ' PRO . . . 33.79 -98.43 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.764 -0.732 . . . . 0.0 112.471 179.95 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' ASP . . . . . . . . . . . . . 12.1 t0 -148.35 117.83 4.14 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.634 0.731 . . . . 0.0 110.83 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . 0.518 ' HB3' ' CZ ' ' A' ' 43' ' ' TYR . 54.2 Cg_endo -69.71 144.86 55.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.619 2.213 . . . . 0.0 112.38 179.978 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ILE . . . . . . . . . . . . . 66.9 mt -48.69 -44.9 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.201 179.899 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' GLN . . . . . . . . . . . . . 9.1 tp60 -167.18 118.09 0.89 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.93 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' GLN . . . . . . . . . . . . . 13.4 pt20 -99.16 137.11 38.15 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.913 -179.921 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' LEU . . . . . 0.607 HD12 ' N ' ' A' ' 57' ' ' LEU . 0.3 OUTLIER -141.92 157.57 44.81 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.9 -179.987 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ASN . . . . . . . . . . . . . 4.1 m120 -103.85 114.34 28.52 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.913 179.915 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 79' ' ' LEU . 70.5 mt -63.49 -9.33 12.41 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.892 179.998 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' LYS . . . . . 0.412 ' HD2' ' C ' ' A' ' 60' ' ' LYS . 0.2 OUTLIER -71.89 100.38 2.41 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.892 179.823 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' GLY . . . . . . . . . . . . . . . 103.32 21.95 9.54 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.535 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' CYS . . . . . 0.464 ' CB ' HG22 ' A' ' 81' ' ' VAL . 14.3 p -105.1 -175.07 2.69 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.755 0.312 . . . . 0.0 110.905 -179.881 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.1 tp10 -114.99 149.25 37.67 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' VAL . . . . . . . . . . . . . 78.6 t -138.49 125.54 26.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.095 179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' VAL . . . . . . . . . . . . . 21.7 t -127.8 106.59 20.51 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.602 0.715 . . . . 0.0 111.099 179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 138.53 38.02 Favored 'Trans proline' 0 C--N 1.341 0.159 0 C-N-CA 122.649 2.233 . . . . 0.0 112.375 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -133.52 34.47 3.47 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.87 179.964 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.501 HG23 ' O ' ' A' ' 74' ' ' LYS . 5.1 p -78.02 133.76 29.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.092 -179.976 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' ASN . . . . . . . . . . . . . 21.4 m120 -125.97 77.05 1.64 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.875 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' VAL . . . . . . . . . . . . . 49.6 t -40.46 -28.36 0.11 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.15 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' SER . . . . . . . . . . . . . 17.4 t -49.79 -52.26 33.36 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.846 -179.833 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . -105.87 34.6 5.64 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.499 -179.997 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' GLN . . . . . . . . . . . . . 23.7 mm100 42.03 52.71 4.32 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.845 0.355 . . . . 0.0 110.891 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' LYS . . . . . 0.501 ' O ' HG23 ' A' ' 68' ' ' VAL . 16.5 ttpt -126.69 137.53 53.28 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.254 -0.43 . . . . 0.0 110.918 179.947 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' PHE . . . . . 0.509 ' CD1' ' N ' ' A' ' 75' ' ' PHE . 0.6 OUTLIER -138.83 123.39 18.46 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 179.992 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' CYS . . . . . . . . . . . . . 22.6 t -136.92 162.11 34.17 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.929 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 13.0 mt -136.08 106.02 5.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.13 -179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' LYS . . . . . . . . . . . . . 16.7 ttpt -79.15 107.14 11.68 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.892 179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' LEU . . . . . 0.933 HD21 HD21 ' A' ' 59' ' ' LEU . 7.1 tp -99.16 129.94 45.44 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.273 -0.421 . . . . 0.0 110.911 179.918 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' LEU . . . . . 0.694 HD22 ' SD ' ' A' ' 87' ' ' MET . 18.0 mt -133.67 102.45 5.49 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.951 179.814 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' VAL . . . . . 0.464 HG22 ' CB ' ' A' ' 62' ' ' CYS . 96.4 t -109.21 133.68 20.69 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.595 0.712 . . . . 0.0 111.127 179.861 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' PRO . . . . . 0.461 ' HD2' HG13 ' A' ' 81' ' ' VAL . 53.2 Cg_endo -69.81 147.33 62.3 Favored 'Trans proline' 0 C--N 1.341 0.17 0 C-N-CA 122.651 2.234 . . . . 0.0 112.335 179.963 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' SER . . . . . . . . . . . . . 4.0 m -144.03 147.14 36.75 Favored Pre-proline 0 C--N 1.33 -0.264 0 CA-C-O 121.649 0.738 . . . . 0.0 110.872 -179.824 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.7 -9.63 26.6 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.715 2.277 . . . . 0.0 112.393 179.93 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . . . . . . . . . 3.0 tp10 -107.05 -28.08 10.23 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.895 -179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' GLY . . . . . . . . . . . . . . . 176.32 -123.62 0.92 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.506 -179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' MET . . . . . 0.694 ' SD ' HD22 ' A' ' 80' ' ' LEU . 5.4 ttm -142.26 137.14 30.47 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.771 0.32 . . . . 0.0 110.875 -179.97 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' SER . . . . . . . . . . . . . 1.7 t -107.12 93.47 4.57 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.89 -179.816 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' GLU . . . . . . . . . . . . . 30.4 tt0 -96.28 116.54 29.18 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.913 -179.954 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' ILE . . . . . . . . . . . . . 74.8 mt -121.61 138.08 53.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.131 -179.998 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' TYR . . . . . . . . . . . . . 32.2 m-85 -103.78 124.32 48.69 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.908 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' LEU . . . . . . . . . . . . . 16.0 mt -121.63 115.65 23.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.893 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 40.9 ttm-85 -115.51 109.14 17.38 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.847 179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' CYS . . . . . . . . . . . . . 5.2 m -72.21 169.62 15.76 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.878 -179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' GLN . . . . . . . . . . . . . 3.3 pp0? -91.77 -39.23 11.91 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.965 -179.924 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' ASP . . . . . . . . . . . . . 16.1 t0 -143.17 163.95 31.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 11.0 pt-20 -52.31 -39.41 60.51 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLN . . . . . . . . . . . . . 7.3 mm-40 -46.76 -61.61 1.76 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.944 -179.947 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' GLN . . . . . . . . . . . . . 6.6 tp60 -61.6 -44.14 97.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.247 -0.433 . . . . 0.0 110.92 -179.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' TYR . . . . . . . . . . . . . 11.3 t80 -49.31 -61.59 2.01 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.918 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -51.35 -55.08 20.38 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.11 -0.496 . . . . 0.0 111.075 179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' ARG . . . . . . . . . . . . . 56.8 mtt180 -46.49 -66.13 0.45 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.855 -179.877 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' TRP . . . . . 0.581 ' CZ3' ' HB2' ' A' ' 35' ' ' PHE . 47.2 m95 -60.56 -64.03 1.09 Allowed 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.939 -179.984 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' MET . . . . . 0.435 ' C ' ' O ' ' A' ' 103' ' ' TRP . 6.4 tpp -34.94 -67.6 0.14 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.24 -0.437 . . . . 0.0 110.885 179.919 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ALA . . . . . . . . . . . . . . . -41.98 -36.28 1.07 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.053 179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' GLY . . . . . 0.463 ' N ' ' O ' ' A' ' 103' ' ' TRP . . . -64.24 -55.43 23.73 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.739 -0.744 . . . . 0.0 112.455 -179.917 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' CYS . . . . . . . . . . . . . 69.5 m -53.52 -44.13 68.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.804 0.335 . . . . 0.0 110.881 -179.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' ARG . . . . . . . . . . . . . 44.0 mtp85 -60.74 -51.8 67.8 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' LEU . . . . . 0.793 HD11 ' HA ' ' A' ' 121' ' ' TYR . 14.8 mt -54.07 -43.04 69.97 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.902 -179.961 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' ALA . . . . . . . . . . . . . . . -74.48 -31.93 62.39 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.089 179.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' SER . . . . . . . . . . . . . 37.7 t -50.59 -29.3 10.51 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.892 -179.793 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' LYS . . . . . . . . . . . . . 21.5 mmmt -103.23 -40.82 6.27 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLY . . . . . . . . . . . . . . . 146.17 -7.54 1.39 Allowed Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.47 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' ARG . . . . . . . . . . . . . 71.8 mtt85 -74.3 149.87 40.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.883 0.373 . . . . 0.0 110.881 -179.847 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' THR . . . . . 0.654 HG22 HG23 ' A' ' 38' ' ' THR . 52.7 p -114.65 149.04 37.3 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.151 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' MET . . . . . 0.448 ' HG3' ' CD1' ' A' ' 121' ' ' TYR . 1.0 OUTLIER -46.67 -39.75 11.95 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.889 179.905 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' ALA . . . . . . . . . . . . . . . -43.39 -39.05 3.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.097 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -64.4 129.04 38.35 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.893 179.958 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' SER . . . . . . . . . . . . . 93.1 p -47.92 -37.47 14.39 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.863 -179.763 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 120' ' ' SER . . . . . . . . . . . . . 22.3 m -43.05 -27.06 0.17 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.861 -179.783 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 121' ' ' TYR . . . . . 0.793 ' HA ' HD11 ' A' ' 109' ' ' LEU . 8.4 t80 -51.92 -62.48 1.61 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.936 -179.88 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 122' ' ' THR . . . . . . . . . . . . . 3.0 t -54.83 -28.15 47.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.136 179.991 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 123' ' ' SER . . . . . . . . . . . . . 1.4 t -58.47 -34.36 70.79 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.846 -179.83 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 124' ' ' GLU . . . . . . . . . . . . . 1.0 OUTLIER -78.96 -45.2 20.86 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.923 -179.987 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 125' ' ' VAL . . . . . . . . . . . . . 48.0 t -53.23 -46.97 57.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.136 179.95 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 126' ' ' GLN . . . . . . . . . . . . . 27.7 mm-40 -64.45 -64.43 0.88 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 127' ' ' ALA . . . . . . . . . . . . . . . -40.13 -43.01 1.55 Allowed 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.078 179.967 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 128' ' ' ILE . . . . . . . . . . . . . 47.9 mt -65.83 -57.88 8.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.273 -0.422 . . . . 0.0 111.098 179.988 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 129' ' ' LEU . . . . . . . . . . . . . 39.7 mt -39.18 -52.3 1.93 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.96 179.91 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 130' ' ' ALA . . . . . . . . . . . . . . . -68.22 -58.53 4.29 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.073 179.797 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 131' ' ' PHE . . . . . . . . . . . . . 36.5 t80 -39.51 -54.68 1.93 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.927 -179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 132' ' ' LEU . . . . . . . . . . . . . 40.6 mt -51.62 -47.48 63.65 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.922 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 133' ' ' SER . . . . . . . . . . . . . 1.2 t -56.87 -47.45 80.41 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.851 -179.896 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 134' ' ' LEU . . . . . . . . . . . . . 51.9 mt -47.22 -41.97 19.33 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.958 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 135' ' ' GLN . . . . . . . . . . . . . 20.9 mm-40 -46.28 -43.64 15.84 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.886 179.934 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 136' ' ' ARG . . . . . . . . . . . . . 40.8 mtp180 -46.12 151.65 0.47 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.862 -179.903 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 137' ' ' THR . . . . . . . . . . . . . 32.0 p . . . . . 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.136 -179.895 . . . . . . . . 0 0 . 1 stop_ save_